6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

C30H37N7O2 — CID 118699852

IUPAC6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(C4=CCN(C5CCNCC5)CC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C30H37N7O2/c1-19-25-18-33-30(35-28(25)37(24-5-3-4-6-24)29(39)27(19)20(2)38)34-26-8-7-22(17-32-26)21-11-15-36(16-12-21)23-9-13-31-14-10-23/h7-8,11,17-18,23-24,31H,3-6,9-10,12-16H2,1-2H3,(H,32,33,34,35)
InChIKeyLLPGURZPMYEKAU-UHFFFAOYSA-N
MW527.67 g/mol
LogP4.40
Rot. Bonds6

About 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 118699852) has the molecular formula C30H37N7O2 and a molecular weight of 527.67 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID118699852
Molecular FormulaC30H37N7O2
Molecular Weight527.67 g/mol
Exact Mass527.30
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(C4=CCN(C5CCNCC5)CC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C30H37N7O2/c1-19-25-18-33-30(35-28(25)37(24-5-3-4-6-24)29(39)27(19)20(2)38)34-26-8-7-22(17-32-26)21-11-15-36(16-12-21)23-9-13-31-14-10-23/h7-8,11,17-18,23-24,31H,3-6,9-10,12-16H2,1-2H3,(H,32,33,34,35)
InChIKeyLLPGURZPMYEKAU-UHFFFAOYSA-N
XLogP4.40
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 118699872
6-acetyl-8-cyclohexyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 166879305
acetic acid;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 175123063
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
6-acetyl-8-cyclopentyl-2-[[5-(2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 129276109
6-acetyl-2-[[5-[4-(4-acetylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 118699829
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118695579
6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118856883
N-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-N-methylacetamide
CID 22329907
6-acetyl-2-[[5-[bis(2-methoxyethyl)amino]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330295
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 5330303
6-acetyl-8-cyclopentyl-5-methyl-2-[(4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118856900

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 118699852) is 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(C4=CCN(C5CCNCC5)CC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LLPGURZPMYEKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O2/c1-19-25-18-33-30(35-28(25)37(24-5-3-4-6-24)29(39)27(19)20(2)38)34-26-8-7-22(17-32-26)21-11-15-36(16-12-21)23-9-13-31-14-10-23/h7-8,11,17-18,23-24,31H,3-6,9-10,12-16H2,1-2H3,(H,32,33,34,35).
What are the key properties of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 527.67 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118699852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).