[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone

C24H27N5O — CID 92631019

IUPAC[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone
SMILESNc1nc(-c2ccccc2)nc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)ccc12
InChIInChI=1S/C24H27N5O/c25-21-19-12-13-20(26-23(19)28-22(27-21)16-7-2-1-3-8-16)18-11-6-14-29(15-18)24(30)17-9-4-5-10-17/h1-3,7-8,12-13,17-18H,4-6,9-11,14-15H2,(H2,25,26,27,28)/t18-/m0/s1
InChIKeyOKJXJDFEPZXFHG-SFHVURJKSA-N
MW401.51 g/mol
LogP4.17
Rot. Bonds3

About [(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone

[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone (PubChem CID 92631019) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is [(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone
PubChem CID92631019
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone
SMILESNc1nc(-c2ccccc2)nc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)ccc12
InChIInChI=1S/C24H27N5O/c25-21-19-12-13-20(26-23(19)28-22(27-21)16-7-2-1-3-8-16)18-11-6-14-29(15-18)24(30)17-9-4-5-10-17/h1-3,7-8,12-13,17-18H,4-6,9-11,14-15H2,(H2,25,26,27,28)/t18-/m0/s1
InChIKeyOKJXJDFEPZXFHG-SFHVURJKSA-N
XLogP4.17
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone with MolForge

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Related Compounds

N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 92631024
5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 92630985
2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 110264752
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093558
cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110249697
3-[6-[(3S)-1-(1-methylpiperidine-4-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 95810732
cyclohexyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137660
cyclohexyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897675

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone (CID 92631019) is [(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone is Nc1nc(-c2ccccc2)nc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)ccc12.
What is the InChIKey of [(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone?
The InChIKey is OKJXJDFEPZXFHG-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N5O/c25-21-19-12-13-20(26-23(19)28-22(27-21)16-7-2-1-3-8-16)18-11-6-14-29(15-18)24(30)17-9-4-5-10-17/h1-3,7-8,12-13,17-18H,4-6,9-11,14-15H2,(H2,25,26,27,28)/t18-/m0/s1.
What are the key properties of [(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone?
[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone has a molecular weight of 401.51 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 92631019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).