6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

C17H16BrN5O — CID 5330282

IUPAC6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(Br)cc2cnc(Nc3ccccn3)nc2n1C1CCCC1
InChIInChI=1S/C17H16BrN5O/c18-13-9-11-10-20-17(21-14-7-3-4-8-19-14)22-15(11)23(16(13)24)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,19,20,21,22)
InChIKeyJPJBKLUESOYNLD-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.81
Rot. Bonds3

About 6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330282) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is 6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330282
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC Name6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(Br)cc2cnc(Nc3ccccn3)nc2n1C1CCCC1
InChIInChI=1S/C17H16BrN5O/c18-13-9-11-10-20-17(21-14-7-3-4-8-19-14)22-15(11)23(16(13)24)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,19,20,21,22)
InChIKeyJPJBKLUESOYNLD-UHFFFAOYSA-N
XLogP3.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5330282) is 6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is O=c1c(Br)cc2cnc(Nc3ccccn3)nc2n1C1CCCC1.
What is the InChIKey of 6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JPJBKLUESOYNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c18-13-9-11-10-20-17(21-14-7-3-4-8-19-14)22-15(11)23(16(13)24)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,19,20,21,22).
What are the key properties of 6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 386.25 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).