8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

C21H25N5O2 — CID 59258906

IUPAC8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C21H25N5O2/c1-4-22-21-24-13(2)16-11-17(14-9-10-18(28-3)23-12-14)20(27)26(19(16)25-21)15-7-5-6-8-15/h9-12,15H,4-8H2,1-3H3,(H,22,24,25)
InChIKeyWSPQLGFSKZAKSQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.72
Rot. Bonds5

About 8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258906) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258906
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C21H25N5O2/c1-4-22-21-24-13(2)16-11-17(14-9-10-18(28-3)23-12-14)20(27)26(19(16)25-21)15-7-5-6-8-15/h9-12,15H,4-8H2,1-3H3,(H,22,24,25)
InChIKeyWSPQLGFSKZAKSQ-UHFFFAOYSA-N
XLogP3.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 59258906) is 8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is CCNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WSPQLGFSKZAKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-22-21-24-13(2)16-11-17(14-9-10-18(28-3)23-12-14)20(27)26(19(16)25-21)15-7-5-6-8-15/h9-12,15H,4-8H2,1-3H3,(H,22,24,25).
What are the key properties of 8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 379.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).