6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

C23H27N5O4 — CID 22329815

IUPAC6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCOCCOCc1ccc(Nc2ncc3cc(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
InChIInChI=1S/C23H27N5O4/c1-15(29)19-11-17-13-25-23(27-21(17)28(22(19)30)18-5-3-4-6-18)26-20-8-7-16(12-24-20)14-32-10-9-31-2/h7-8,11-13,18H,3-6,9-10,14H2,1-2H3,(H,24,25,26,27)
InChIKeySUMIDHRKHFHCBN-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.41
Rot. Bonds9

About 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 22329815) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID22329815
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCOCCOCc1ccc(Nc2ncc3cc(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
InChIInChI=1S/C23H27N5O4/c1-15(29)19-11-17-13-25-23(27-21(17)28(22(19)30)18-5-3-4-6-18)26-20-8-7-16(12-24-20)14-32-10-9-31-2/h7-8,11-13,18H,3-6,9-10,14H2,1-2H3,(H,24,25,26,27)
InChIKeySUMIDHRKHFHCBN-UHFFFAOYSA-N
XLogP3.41
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 22329815) is 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is COCCOCc1ccc(Nc2ncc3cc(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1.
What is the InChIKey of 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SUMIDHRKHFHCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-15(29)19-11-17-13-25-23(27-21(17)28(22(19)30)18-5-3-4-6-18)26-20-8-7-16(12-24-20)14-32-10-9-31-2/h7-8,11-13,18H,3-6,9-10,14H2,1-2H3,(H,24,25,26,27).
What are the key properties of 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 437.50 g/mol, XLogP of 3.41, 9 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-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 22329815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).