1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide

C17H19N5O3S — CID 78839843

IUPAC1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)cc12
InChIInChI=1S/C17H19N5O3S/c1-10(12-5-4-6-14(7-12)26(18,24)25)20-17(23)13-8-15-11(2)21-22(3)16(15)19-9-13/h4-10H,1-3H3,(H,20,23)(H2,18,24,25)
InChIKeyIWUATFZPSQQTRV-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.42
Rot. Bonds4

About 1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide

1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78839843) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78839843
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)cc12
InChIInChI=1S/C17H19N5O3S/c1-10(12-5-4-6-14(7-12)26(18,24)25)20-17(23)13-8-15-11(2)21-22(3)16(15)19-9-13/h4-10H,1-3H3,(H,20,23)(H2,18,24,25)
InChIKeyIWUATFZPSQQTRV-UHFFFAOYSA-N
XLogP1.42
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937313
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
1,3-dimethyl-N-pentan-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937289
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 79246411
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469
6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78831279
2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoic acid
CID 120520882
N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 99702094
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate
CID 78839711
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 47009666
1,3-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34644381
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119360944

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide (CID 78839843) is 1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)cc12.
What is the InChIKey of 1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is IWUATFZPSQQTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-10(12-5-4-6-14(7-12)26(18,24)25)20-17(23)13-8-15-11(2)21-22(3)16(15)19-9-13/h4-10H,1-3H3,(H,20,23)(H2,18,24,25).
What are the key properties of 1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78839843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).