6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

C26H33N7O3 — CID 134145455

IUPAC6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCO)CC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H33N7O3/c1-17-21-16-28-26(30-24(21)33(19-5-3-4-6-19)25(36)23(17)18(2)35)29-22-8-7-20(15-27-22)32-11-9-31(10-12-32)13-14-34/h7-8,15-16,19,34H,3-6,9-14H2,1-2H3,(H,27,28,29,30)
InChIKeyICLQNDXQZZZKHV-UHFFFAOYSA-N
MW491.60 g/mol
LogP2.67
Rot. Bonds7

About 6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 134145455) has the molecular formula C26H33N7O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID134145455
Molecular FormulaC26H33N7O3
Molecular Weight491.60 g/mol
Exact Mass491.26
IUPAC Name6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCO)CC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H33N7O3/c1-17-21-16-28-26(30-24(21)33(19-5-3-4-6-19)25(36)23(17)18(2)35)29-22-8-7-20(15-27-22)32-11-9-31(10-12-32)13-14-34/h7-8,15-16,19,34H,3-6,9-14H2,1-2H3,(H,27,28,29,30)
InChIKeyICLQNDXQZZZKHV-UHFFFAOYSA-N
XLogP2.67
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[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

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 134145455) is 6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCO)CC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ICLQNDXQZZZKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3/c1-17-21-16-28-26(30-24(21)33(19-5-3-4-6-19)25(36)23(17)18(2)35)29-22-8-7-20(15-27-22)32-11-9-31(10-12-32)13-14-34/h7-8,15-16,19,34H,3-6,9-14H2,1-2H3,(H,27,28,29,30).
What are the key properties of 6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 491.60 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 134145455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).