6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C19H23N5O3S — CID 78831279

IUPAC6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C19H23N5O3S/c1-11(2)24-18-17(10-21-24)16(8-12(3)22-18)19(25)23-13(4)14-6-5-7-15(9-14)28(20,26)27/h5-11,13H,1-4H3,(H,23,25)(H2,20,26,27)
InChIKeyLTUYRIBVZKZRRA-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.46
Rot. Bonds5

About 6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 78831279) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID78831279
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C19H23N5O3S/c1-11(2)24-18-17(10-21-24)16(8-12(3)22-18)19(25)23-13(4)14-6-5-7-15(9-14)28(20,26)27/h5-11,13H,1-4H3,(H,23,25)(H2,20,26,27)
InChIKeyLTUYRIBVZKZRRA-UHFFFAOYSA-N
XLogP2.46
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,6-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823350
1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854349
6-methyl-N-[1-(4-methylphenyl)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42927620
N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42927719
N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120567750
N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 45490949
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46474082
1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839843
2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 120523353
N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42152657
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 78814202

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 78831279) is 6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is LTUYRIBVZKZRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-11(2)24-18-17(10-21-24)16(8-12(3)22-18)19(25)23-13(4)14-6-5-7-15(9-14)28(20,26)27/h5-11,13H,1-4H3,(H,23,25)(H2,20,26,27).
What are the key properties of 6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78831279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).