8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one

C31H35N5O — CID 156767141

IUPAC8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc2n1C1CCCC1
InChIInChI=1S/C31H35N5O/c37-29-21-27(24-11-5-2-6-12-24)28-22-33-31(34-30(28)36(29)26-13-7-8-14-26)35-19-16-25(17-20-35)32-18-15-23-9-3-1-4-10-23/h1-6,9-12,21-22,25-26,32H,7-8,13-20H2
InChIKeyCDOVXSUQEGKAJH-UHFFFAOYSA-N
MW493.66 g/mol
LogP5.37
Rot. Bonds7

About 8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 156767141) has the molecular formula C31H35N5O and a molecular weight of 493.66 g/mol. Its IUPAC name is 8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID156767141
Molecular FormulaC31H35N5O
Molecular Weight493.66 g/mol
Exact Mass493.28
IUPAC Name8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc2n1C1CCCC1
InChIInChI=1S/C31H35N5O/c37-29-21-27(24-11-5-2-6-12-24)28-22-33-31(34-30(28)36(29)26-13-7-8-14-26)35-19-16-25(17-20-35)32-18-15-23-9-3-1-4-10-23/h1-6,9-12,21-22,25-26,32H,7-8,13-20H2
InChIKeyCDOVXSUQEGKAJH-UHFFFAOYSA-N
XLogP5.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.66
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dalpiciclib
CID 86279927
2-cyano-4-(cyclohexylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 16108900
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 45
CID 5330231
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 46
CID 5330232
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 47
CID 5330233
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 48
CID 5330234
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (CID 156767141) is 8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is O=c1cc(-c2ccccc2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc2n1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CDOVXSUQEGKAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O/c37-29-21-27(24-11-5-2-6-12-24)28-22-33-31(34-30(28)36(29)26-13-7-8-14-26)35-19-16-25(17-20-35)32-18-15-23-9-3-1-4-10-23/h1-6,9-12,21-22,25-26,32H,7-8,13-20H2.
What are the key properties of 8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 493.66 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156767141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).