N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide

C24H19FN6OS — CID 130243560

IUPACN-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCc1cccc(-c2nnc(NC(=O)c3nn(Cc4ccccc4F)c4ncccc34)s2)c1C
InChIInChI=1S/C24H19FN6OS/c1-14-7-5-9-17(15(14)2)23-28-29-24(33-23)27-22(32)20-18-10-6-12-26-21(18)31(30-20)13-16-8-3-4-11-19(16)25/h3-12H,13H2,1-2H3,(H,27,29,32)
InChIKeyGSZNKVUKZJSCKK-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.01
Rot. Bonds5

About N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide

N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 130243560) has the molecular formula C24H19FN6OS and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID130243560
Molecular FormulaC24H19FN6OS
Molecular Weight458.52 g/mol
Exact Mass458.13
IUPAC NameN-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCc1cccc(-c2nnc(NC(=O)c3nn(Cc4ccccc4F)c4ncccc34)s2)c1C
InChIInChI=1S/C24H19FN6OS/c1-14-7-5-9-17(15(14)2)23-28-29-24(33-23)27-22(32)20-18-10-6-12-26-21(18)31(30-20)13-16-8-3-4-11-19(16)25/h3-12H,13H2,1-2H3,(H,27,29,32)
InChIKeyGSZNKVUKZJSCKK-UHFFFAOYSA-N
XLogP5.01
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 130243949
N-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123253972
6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 145023295
1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide
CID 136639808
1-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621080
N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide
CID 154023247
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 130319689
N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 142185000
ethyl 5,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 66614118
N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 66655946
N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 123648665
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide
CID 156585106

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide (CID 130243560) is N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide is Cc1cccc(-c2nnc(NC(=O)c3nn(Cc4ccccc4F)c4ncccc34)s2)c1C.
What is the InChIKey of N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is GSZNKVUKZJSCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6OS/c1-14-7-5-9-17(15(14)2)23-28-29-24(33-23)27-22(32)20-18-10-6-12-26-21(18)31(30-20)13-16-8-3-4-11-19(16)25/h3-12H,13H2,1-2H3,(H,27,29,32).
What are the key properties of N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 130243560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).