2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C23H18N6OS2 — CID 167190164

IUPAC2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n(Cc3ccc(Sn4cnc(-c5ccccc5)n4)cc3)c2n1
InChIInChI=1S/C23H18N6OS2/c1-31-23-24-13-18-9-12-20(30)28(22(18)26-23)14-16-7-10-19(11-8-16)32-29-15-25-21(27-29)17-5-3-2-4-6-17/h2-13,15H,14H2,1H3
InChIKeyWLQRXFUJOXNLMG-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.38
Rot. Bonds6

About 2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 167190164) has the molecular formula C23H18N6OS2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID167190164
Molecular FormulaC23H18N6OS2
Molecular Weight458.57 g/mol
Exact Mass458.10
IUPAC Name2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n(Cc3ccc(Sn4cnc(-c5ccccc5)n4)cc3)c2n1
InChIInChI=1S/C23H18N6OS2/c1-31-23-24-13-18-9-12-20(30)28(22(18)26-23)14-16-7-10-19(11-8-16)32-29-15-25-21(27-29)17-5-3-2-4-6-17/h2-13,15H,14H2,1H3
InChIKeyWLQRXFUJOXNLMG-UHFFFAOYSA-N
XLogP4.38
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]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

Related Compounds

2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N,N-diethylacetamide
CID 665455
8-[(4-Methylsulfanylphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375107
8-[[4-[(3-Cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 164925521
2-Methylsulfanyl-8-[3-[(3-phenyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one
CID 164925551
8-[[4-[(3-Cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 164925614
2-Methylsulfonyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 164925674
2-Methylsulfonyl-8-[[4-(1,2,4-triazol-1-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 164925708
2-Methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 164925754
2-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]acetamide
CID 164925885
2-Methylsulfanyl-8-[2-[(3-phenyl-1,2,4-triazol-1-yl)sulfonyl]ethyl]pyrido[2,3-d]pyrimidin-7-one
CID 164925902
2-[(1-Methylsulfonylpiperidin-4-yl)amino]-8-[[4-(1,2,4-triazol-1-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 164925905
6-(Ethoxymethyl)-2-methylsulfanyl-8-[3-[(3-phenyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one
CID 164926000

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 167190164) is 2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is CSc1ncc2ccc(=O)n(Cc3ccc(Sn4cnc(-c5ccccc5)n4)cc3)c2n1.
What is the InChIKey of 2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WLQRXFUJOXNLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6OS2/c1-31-23-24-13-18-9-12-20(30)28(22(18)26-23)14-16-7-10-19(11-8-16)32-29-15-25-21(27-29)17-5-3-2-4-6-17/h2-13,15H,14H2,1H3.
What are the key properties of 2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 458.57 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfanyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 167190164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).