8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one

C24H31N5O2 — CID 5330244

IUPAC8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
InChIInChI=1S/C24H31N5O2/c1-3-28(4-2)15-16-31-21-12-10-19(11-13-21)26-24-25-17-18-9-14-22(30)29(23(18)27-24)20-7-5-6-8-20/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,25,26,27)
InChIKeyYYZJJQLIOBCYAE-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.37
Rot. Bonds9

About 8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330244) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330244
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
InChIInChI=1S/C24H31N5O2/c1-3-28(4-2)15-16-31-21-12-10-19(11-13-21)26-24-25-17-18-9-14-22(30)29(23(18)27-24)20-7-5-6-8-20/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,25,26,27)
InChIKeyYYZJJQLIOBCYAE-UHFFFAOYSA-N
XLogP4.37
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one (CID 5330244) is 8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one is CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1.
What is the InChIKey of 8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YYZJJQLIOBCYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-3-28(4-2)15-16-31-21-12-10-19(11-13-21)26-24-25-17-18-9-14-22(30)29(23(18)27-24)20-7-5-6-8-20/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,25,26,27).
What are the key properties of 8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 421.55 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).