8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C24H20N6OS — CID 18375107

IUPAC8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ccc(Cn2c(=O)ccc3cnc(Nc4ccc(-n5cccn5)cc4)nc32)cc1
InChIInChI=1S/C24H20N6OS/c1-32-21-10-3-17(4-11-21)16-29-22(31)12-5-18-15-25-24(28-23(18)29)27-19-6-8-20(9-7-19)30-14-2-13-26-30/h2-15H,16H2,1H3,(H,25,27,28)
InChIKeyMIXPIFVFAMJFQQ-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.49
Rot. Bonds6

About 8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18375107) has the molecular formula C24H20N6OS and a molecular weight of 440.53 g/mol. Its IUPAC name is 8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID18375107
Molecular FormulaC24H20N6OS
Molecular Weight440.53 g/mol
Exact Mass440.14
IUPAC Name8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ccc(Cn2c(=O)ccc3cnc(Nc4ccc(-n5cccn5)cc4)nc32)cc1
InChIInChI=1S/C24H20N6OS/c1-32-21-10-3-17(4-11-21)16-29-22(31)12-5-18-15-25-24(28-23(18)29)27-19-6-8-20(9-7-19)30-14-2-13-26-30/h2-15H,16H2,1H3,(H,25,27,28)
InChIKeyMIXPIFVFAMJFQQ-UHFFFAOYSA-N
XLogP4.49
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)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 8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 18375107) is 8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CSc1ccc(Cn2c(=O)ccc3cnc(Nc4ccc(-n5cccn5)cc4)nc32)cc1.
What is the InChIKey of 8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MIXPIFVFAMJFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6OS/c1-32-21-10-3-17(4-11-21)16-29-22(31)12-5-18-15-25-24(28-23(18)29)27-19-6-8-20(9-7-19)30-14-2-13-26-30/h2-15H,16H2,1H3,(H,25,27,28).
What are the key properties of 8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 440.53 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18375107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).