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

C19H18N6O4S — CID 66496111

IUPACmethyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCCSc1n[nH]c(-n2cc(C(=O)OC)c3nn(-c4ccc(OC)cc4)c(=O)c-3c2)n1
InChIInChI=1S/C19H18N6O4S/c1-4-30-19-20-18(21-22-19)24-9-13-15(14(10-24)17(27)29-3)23-25(16(13)26)11-5-7-12(28-2)8-6-11/h5-10H,4H2,1-3H3,(H,20,21,22)
InChIKeyQRPNRAUEAUWWQL-UHFFFAOYSA-N
MW426.46 g/mol
LogP2.15
Rot. Bonds6

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

methyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66496111) has the molecular formula C19H18N6O4S and a molecular weight of 426.46 g/mol. Its IUPAC name is methyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID66496111
Molecular FormulaC19H18N6O4S
Molecular Weight426.46 g/mol
Exact Mass426.11
IUPAC Namemethyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCCSc1n[nH]c(-n2cc(C(=O)OC)c3nn(-c4ccc(OC)cc4)c(=O)c-3c2)n1
InChIInChI=1S/C19H18N6O4S/c1-4-30-19-20-18(21-22-19)24-9-13-15(14(10-24)17(27)29-3)23-25(16(13)26)11-5-7-12(28-2)8-6-11/h5-10H,4H2,1-3H3,(H,20,21,22)
InChIKeyQRPNRAUEAUWWQL-UHFFFAOYSA-N
XLogP2.15
TPSA116.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

methyl 2-(4-methoxyphenyl)-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496228
methyl 5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495958
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 5-benzyl-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495834
methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495608
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-[2-(4-methoxyphenyl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496128

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (CID 66496111) is methyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is CCSc1n[nH]c(-n2cc(C(=O)OC)c3nn(-c4ccc(OC)cc4)c(=O)c-3c2)n1.
What is the InChIKey of methyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is QRPNRAUEAUWWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4S/c1-4-30-19-20-18(21-22-19)24-9-13-15(14(10-24)17(27)29-3)23-25(16(13)26)11-5-7-12(28-2)8-6-11/h5-10H,4H2,1-3H3,(H,20,21,22).
What are the key properties of methyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 426.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66496111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).