8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

About 8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59724164) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is 8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name	8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID	59724164
Molecular Formula	C25H24N6O4
Molecular Weight	472.51 g/mol
Exact Mass	472.19
IUPAC Name	8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILES	CONC(=O)c1cn(-c2cnc3c(c2)CCC3)c2nc(Nc3ccc(CCO)cc3)ncc2c1=O
InChI	InChI=1S/C25H24N6O4/c1-35-30-24(34)20-14-31(18-11-16-3-2-4-21(16)26-12-18)23-19(22(20)33)13-27-25(29-23)28-17-7-5-15(6-8-17)9-10-32/h5-8,11-14,32H,2-4,9-10H2,1H3,(H,30,34)(H,27,28,29)
InChIKey	JXFOTVHAGMTVON-UHFFFAOYSA-N
XLogP	2.23
TPSA	131.26 Å²
H-Bond Donors	3
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.51
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 59724164) is 8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CONC(=O)c1cn(-c2cnc3c(c2)CCC3)c2nc(Nc3ccc(CCO)cc3)ncc2c1=O.

What is the InChIKey of 8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is JXFOTVHAGMTVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4/c1-35-30-24(34)20-14-31(18-11-16-3-2-4-21(16)26-12-18)23-19(22(20)33)13-27-25(29-23)28-17-7-5-15(6-8-17)9-10-32/h5-8,11-14,32H,2-4,9-10H2,1H3,(H,30,34)(H,27,28,29).

What are the key properties of 8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59724164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).