2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone

C31H34N4O — CID 162073530

IUPAC2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone
SMILESO=C(CC1CCC(CCN2CCc3cn(-c4ccccc4)nc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C31H34N4O/c36-31(28-8-4-10-29-27(28)9-5-17-32-29)20-24-13-11-23(12-14-24)15-18-34-19-16-25-21-35(33-30(25)22-34)26-6-2-1-3-7-26/h1-10,17,21,23-24H,11-16,18-20,22H2
InChIKeyZBKGCCLTUZUURH-UHFFFAOYSA-N
MW478.64 g/mol
LogP6.25
Rot. Bonds7

About 2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone

2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone (PubChem CID 162073530) has the molecular formula C31H34N4O and a molecular weight of 478.64 g/mol. Its IUPAC name is 2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone.

Molecular Properties

Compound Name2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone
PubChem CID162073530
Molecular FormulaC31H34N4O
Molecular Weight478.64 g/mol
Exact Mass478.27
IUPAC Name2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone
SMILESO=C(CC1CCC(CCN2CCc3cn(-c4ccccc4)nc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C31H34N4O/c36-31(28-8-4-10-29-27(28)9-5-17-32-29)20-24-13-11-23(12-14-24)15-18-34-19-16-25-21-35(33-30(25)22-34)26-6-2-1-3-7-26/h1-10,17,21,23-24H,11-16,18-20,22H2
InChIKeyZBKGCCLTUZUURH-UHFFFAOYSA-N
XLogP6.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone with MolForge

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Related Compounds

N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671048
2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 161389833
1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one
CID 161286561
2-[4-[2-[2-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 158049524
2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 157101321
2-[4-[2-[(3aS,7aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 157447250
2-(oxan-4-yl)-1-quinolin-5-ylethanone
CID 105092025
N-[4-[2-[(3aS)-2-phenyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 145451582
N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide
CID 145451751
2-[4-[2-[2-(2-cyclopropyl-1,1-difluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone
CID 147878710
N-[4-[2-(2-methoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671303
N-[4-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
CID 11576059

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone?
The IUPAC name of 2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone (CID 162073530) is 2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone.
What is the SMILES notation for 2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone?
The canonical SMILES for 2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone is O=C(CC1CCC(CCN2CCc3cn(-c4ccccc4)nc3C2)CC1)c1cccc2ncccc12.
What is the InChIKey of 2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone?
The InChIKey is ZBKGCCLTUZUURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O/c36-31(28-8-4-10-29-27(28)9-5-17-32-29)20-24-13-11-23(12-14-24)15-18-34-19-16-25-21-35(33-30(25)22-34)26-6-2-1-3-7-26/h1-10,17,21,23-24H,11-16,18-20,22H2.
What are the key properties of 2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone?
2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone has a molecular weight of 478.64 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone is sourced from PubChem (CID 162073530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).