8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one

C17H13N5OS — CID 5328640

IUPAC8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccsc2)cc2cnc(Nc3ccncc3)nc21
InChIInChI=1S/C17H13N5OS/c1-22-15-12(8-14(16(22)23)11-4-7-24-10-11)9-19-17(21-15)20-13-2-5-18-6-3-13/h2-10H,1H3,(H,18,19,20,21)
InChIKeyJYVVCQGPOZGXIP-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.20
Rot. Bonds3

About 8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one

8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328640) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5328640
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccsc2)cc2cnc(Nc3ccncc3)nc21
InChIInChI=1S/C17H13N5OS/c1-22-15-12(8-14(16(22)23)11-4-7-24-10-11)9-19-17(21-15)20-13-2-5-18-6-3-13/h2-10H,1H3,(H,18,19,20,21)
InChIKeyJYVVCQGPOZGXIP-UHFFFAOYSA-N
XLogP3.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[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 8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one (CID 5328640) is 8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2ccsc2)cc2cnc(Nc3ccncc3)nc21.
What is the InChIKey of 8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JYVVCQGPOZGXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-22-15-12(8-14(16(22)23)11-4-7-24-10-11)9-19-17(21-15)20-13-2-5-18-6-3-13/h2-10H,1H3,(H,18,19,20,21).
What are the key properties of 8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 335.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(pyridin-4-ylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).