dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate

C17H15N3O5S — CID 135832618

IUPACdimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate
SMILESCOC(=O)c1[nH]c2c(c(SC)nn2-c2ccccc2)c(=O)c1C(=O)OC
InChIInChI=1S/C17H15N3O5S/c1-24-16(22)10-12(17(23)25-2)18-14-11(13(10)21)15(26-3)19-20(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,18,21)
InChIKeyGFGPAEVCZBPVPN-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.01
Rot. Bonds4

About dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate

dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate (PubChem CID 135832618) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate
PubChem CID135832618
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Namedimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate
SMILESCOC(=O)c1[nH]c2c(c(SC)nn2-c2ccccc2)c(=O)c1C(=O)OC
InChIInChI=1S/C17H15N3O5S/c1-24-16(22)10-12(17(23)25-2)18-14-11(13(10)21)15(26-3)19-20(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,18,21)
InChIKeyGFGPAEVCZBPVPN-UHFFFAOYSA-N
XLogP2.01
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-amino-3-methylsulfanyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135440088
methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate
CID 130236105
dimethyl 4-oxo-1-phenyl-6-propan-2-ylpyridazine-3,5-dicarboxylate
CID 14031226
5-methoxycarbonyl-3-oxo-2-phenyl-6-(trifluoromethyl)pyridazin-4-olate
CID 54719430
methyl 3-(4-methylsulfanylphenyl)-1-phenylpyrazole-5-carboxylate
CID 11163130
dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
CID 58929029
methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 2814245
6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 15430070
methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 50901872
dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate
CID 15942029
dimethyl 3-[4-(N,4-dimethylanilino)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389591
5-methylsulfanyl-2-phenyl-4H-1,2,4-triazol-3-one
CID 137222124

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate?
The IUPAC name of dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate (CID 135832618) is dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate.
What is the SMILES notation for dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate?
The canonical SMILES for dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate is COC(=O)c1[nH]c2c(c(SC)nn2-c2ccccc2)c(=O)c1C(=O)OC.
What is the InChIKey of dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate?
The InChIKey is GFGPAEVCZBPVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-24-16(22)10-12(17(23)25-2)18-14-11(13(10)21)15(26-3)19-20(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,18,21).
What are the key properties of dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate?
dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate has a molecular weight of 373.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate is sourced from PubChem (CID 135832618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).