3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one

C29H37N7O2 — CID 142374730

IUPAC3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
SMILESCC(=O)c1c(C)c2cnc(Nc3cnc(N4CCN(C5CCCC5)CC4)cn3)cc2n(C2CCCC2)c1=O
InChIInChI=1S/C29H37N7O2/c1-19-23-16-30-25(15-24(23)36(22-9-5-6-10-22)29(38)28(19)20(2)37)33-26-17-32-27(18-31-26)35-13-11-34(12-14-35)21-7-3-4-8-21/h15-18,21-22H,3-14H2,1-2H3,(H,30,31,33)
InChIKeyKZVXSYDAWSVZHN-UHFFFAOYSA-N
MW515.66 g/mol
LogP4.62
Rot. Bonds6

About 3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one

3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one (PubChem CID 142374730) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is 3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
PubChem CID142374730
Molecular FormulaC29H37N7O2
Molecular Weight515.66 g/mol
Exact Mass515.30
IUPAC Name3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
SMILESCC(=O)c1c(C)c2cnc(Nc3cnc(N4CCN(C5CCCC5)CC4)cn3)cc2n(C2CCCC2)c1=O
InChIInChI=1S/C29H37N7O2/c1-19-23-16-30-25(15-24(23)36(22-9-5-6-10-22)29(38)28(19)20(2)37)33-26-17-32-27(18-31-26)35-13-11-34(12-14-35)21-7-3-4-8-21/h15-18,21-22H,3-14H2,1-2H3,(H,30,31,33)
InChIKeyKZVXSYDAWSVZHN-UHFFFAOYSA-N
XLogP4.62
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
CID 146188545
3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
CID 175631027
tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate
CID 142374678
3-acetyl-1-cyclopentyl-7-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-methyl-1,6-naphthyridin-2-one
CID 155210486
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
3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]cyclobutane-1-carboxylic acid
CID 178071364
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]azetidin-3-yl]piperidine-4-carboxylic acid
CID 118699885
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839
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
4-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]benzaldehyde
CID 129276161
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 5330303

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one (CID 142374730) is 3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one is CC(=O)c1c(C)c2cnc(Nc3cnc(N4CCN(C5CCCC5)CC4)cn3)cc2n(C2CCCC2)c1=O.
What is the InChIKey of 3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one?
The InChIKey is KZVXSYDAWSVZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O2/c1-19-23-16-30-25(15-24(23)36(22-9-5-6-10-22)29(38)28(19)20(2)37)33-26-17-32-27(18-31-26)35-13-11-34(12-14-35)21-7-3-4-8-21/h15-18,21-22H,3-14H2,1-2H3,(H,30,31,33).
What are the key properties of 3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one?
3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one has a molecular weight of 515.66 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 142374730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).