methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

C18H16N6O4S — CID 66496228

IUPACmethyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2nc(SC)n[nH]2)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2
InChIInChI=1S/C18H16N6O4S/c1-27-11-6-4-10(5-7-11)24-15(25)12-8-23(17-19-18(29-3)21-20-17)9-13(14(12)22-24)16(26)28-2/h4-9H,1-3H3,(H,19,20,21)
InChIKeyILWLUNORUJGRBV-UHFFFAOYSA-N
MW412.43 g/mol
LogP1.76
Rot. Bonds5

About methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66496228) has the molecular formula C18H16N6O4S and a molecular weight of 412.43 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID66496228
Molecular FormulaC18H16N6O4S
Molecular Weight412.43 g/mol
Exact Mass412.10
IUPAC Namemethyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2nc(SC)n[nH]2)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2
InChIInChI=1S/C18H16N6O4S/c1-27-11-6-4-10(5-7-11)24-15(25)12-8-23(17-19-18(29-3)21-20-17)9-13(14(12)22-24)16(26)28-2/h4-9H,1-3H3,(H,19,20,21)
InChIKeyILWLUNORUJGRBV-UHFFFAOYSA-N
XLogP1.76
TPSA116.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate 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

methyl 5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495958
methyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496111
methyl 2-(4-methoxyphenyl)-3-oxo-5-(1H-pyrazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495852
methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496218
methyl 5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495844
methyl 5-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 82017600
methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495608
methyl 5-benzyl-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495834
methyl 5-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495833
methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495889
methyl 5-(1,3-benzothiazol-2-yl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 82017586
methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495853

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (CID 66496228) is methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2nc(SC)n[nH]2)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is ILWLUNORUJGRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O4S/c1-27-11-6-4-10(5-7-11)24-15(25)12-8-23(17-19-18(29-3)21-20-17)9-13(14(12)22-24)16(26)28-2/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 412.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66496228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).