STK341960,,,:MolecularWeight416.43943[g/mol]MolecularFormulaC22H2020-05-1021:14点击:22
[Synonyms]
STK341960


PropertiesComputedfromStructure:MolecularWeight416.43943[g/mol]MolecularFormulaC22H23F3N4OXLogP4H-BondDonor0H-BondAcceptor7RotatableBondCount2ExactMass416.182396MonoIsotopicMass416.182396TopologicalPolarSurfaceArea50.5HeavyAtomCount30FormalCharge0Complexity612IsotopeAtomCount0DefinedAtomStereoCenterCount0UndefinedAtomStereoCenterCount2DefinedBondStereoCenterCount0UndefinedBondStereoCenterCount0Covalently-BondedUnitCount1

DescriptorsComputedfromStructure:IUPACName:(2,
6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-7-(trifluoromethyl)
pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CanonicalSMILES:CC1CCCC(N1C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)C)C(F)(F)F)C
InChI:InChI=1/C22H23F3N4O/c1-13-7-9-16(10-8-13)17-11-19(22(23,
24)25)29-20(26-17)12-18(27-29)21(30)28-14(2)5-4-6-15(28)3/h7-12,14-15H,
4-6H2,1-3H3


CompoundInfo:CID:2871363CreateDate:2005-07-29
RelatedCompounds:
Same,Connectivity:4Links

SimilarCompounds:736Links


SubstanceInfo:Substances:5Links

Category:[forsamestructuresubstances]BiologicalProperties:1Link
DiscoveryGate(1)
SID:10093307-ExternalID:2871363

SubstanceVendors:3Links
Ambinter(1)
SID:48661013-ExternalID:STK341960
ChemBridge(1)
SID:3397786-ExternalID:5823930
ChemSpider(1)
SID:40837637-ExternalID:2146253

TheoreticalProperties:1Link
ChemDB(1)
SID:7411167-ExternalID:4321721

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySaveCompoundID2871363MolecularWeight416.43943[g/mol]MolecularFormulaC22H23F3N4OXLogP4H-BondDonor0H-BondAcceptor7Links
ChemicalStructureSearch

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[Structure]

[PropertiesComputedfromStructure]
MolecularWeight416.43943[g/mol]MolecularFormulaC22H23F3N4OXLogP4H-BondDonor0H-BondAcceptor7RotatableBondCount2ExactMass416.182396MonoIsotopicMass416.182396TopologicalPolarSurfaceArea50.5HeavyAtomCount30FormalCharge0Complexity612IsotopeAtomCount0DefinedAtomStereoCenterCount0UndefinedAtomStereoCenterCount2DefinedBondStereoCenterCount0UndefinedBondStereoCenterCount0Covalently-BondedUnitCount1[DescriptorsComputedfromStructure]
IUPACName:(2,
6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-7-(trifluoromethyl)
pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CanonicalSMILES:CC1CCCC(N1C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)C)C(F)(F)F)C
InChI:InChI=1/C22H23F3N4O/c1-13-7-9-16(10-8-13)17-11-19(22(23,
24)25)29-20(26-17)12-18(27-29)21(30)28-14(2)5-4-6-15(28)3/h7-12,14-15H,
4-6H2,1-3H3