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

C26H33N7O2 — CID 134144635

IUPAC6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN1CCN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C26H33N7O2/c1-4-31-11-13-32(14-12-31)20-9-10-22(27-15-20)29-26-28-16-21-17(2)23(18(3)34)25(35)33(24(21)30-26)19-7-5-6-8-19/h9-10,15-16,19H,4-8,11-14H2,1-3H3,(H,27,28,29,30)
InChIKeyLICNBVSSOUPXNB-UHFFFAOYSA-N
MW475.60 g/mol
LogP3.70
Rot. Bonds6

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

6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 134144635) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID134144635
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN1CCN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C26H33N7O2/c1-4-31-11-13-32(14-12-31)20-9-10-22(27-15-20)29-26-28-16-21-17(2)23(18(3)34)25(35)33(24(21)30-26)19-7-5-6-8-19/h9-10,15-16,19H,4-8,11-14H2,1-3H3,(H,27,28,29,30)
InChIKeyLICNBVSSOUPXNB-UHFFFAOYSA-N
XLogP3.70
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 134144635) is 6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-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-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is CCN1CCN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)nc2)CC1.
What is the InChIKey of 6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LICNBVSSOUPXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-4-31-11-13-32(14-12-31)20-9-10-22(27-15-20)29-26-28-16-21-17(2)23(18(3)34)25(35)33(24(21)30-26)19-7-5-6-8-19/h9-10,15-16,19H,4-8,11-14H2,1-3H3,(H,27,28,29,30).
What are the key properties of 6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 475.60 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 134144635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).