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

C26H33N7O2 — CID 5330296

IUPAC6-acetyl-8-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNC(C)(C)C4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H33N7O2/c1-16-20-14-28-25(30-21-10-9-19(13-27-21)32-12-11-29-26(3,4)15-32)31-23(20)33(18-7-5-6-8-18)24(35)22(16)17(2)34/h9-10,13-14,18,29H,5-8,11-12,15H2,1-4H3,(H,27,28,30,31)
InChIKeyXKOXAHQCOHATFB-UHFFFAOYSA-N
MW475.60 g/mol
LogP3.74
Rot. Bonds5

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

6-acetyl-8-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330296) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330296
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name6-acetyl-8-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNC(C)(C)C4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H33N7O2/c1-16-20-14-28-25(30-21-10-9-19(13-27-21)32-12-11-29-26(3,4)15-32)31-23(20)33(18-7-5-6-8-18)24(35)22(16)17(2)34/h9-10,13-14,18,29H,5-8,11-12,15H2,1-4H3,(H,27,28,30,31)
InChIKeyXKOXAHQCOHATFB-UHFFFAOYSA-N
XLogP3.74
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 5330296) is 6-acetyl-8-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-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-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNC(C)(C)C4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XKOXAHQCOHATFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-16-20-14-28-25(30-21-10-9-19(13-27-21)32-12-11-29-26(3,4)15-32)31-23(20)33(18-7-5-6-8-18)24(35)22(16)17(2)34/h9-10,13-14,18,29H,5-8,11-12,15H2,1-4H3,(H,27,28,30,31).
What are the key properties of 6-acetyl-8-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 475.60 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).