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

C22H14ClFN6OS — CID 130243949

IUPACN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C22H14ClFN6OS/c23-16-9-3-2-7-14(16)21-27-28-22(32-21)26-20(31)18-15-8-5-11-25-19(15)30(29-18)12-13-6-1-4-10-17(13)24/h1-11H,12H2,(H,26,28,31)
InChIKeyGOCQIYKUVCJWAG-UHFFFAOYSA-N
MW464.91 g/mol
LogP5.04
Rot. Bonds5

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

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 130243949) has the molecular formula C22H14ClFN6OS and a molecular weight of 464.91 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID130243949
Molecular FormulaC22H14ClFN6OS
Molecular Weight464.91 g/mol
Exact Mass464.06
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C22H14ClFN6OS/c23-16-9-3-2-7-14(16)21-27-28-22(32-21)26-20(31)18-15-8-5-11-25-19(15)30(29-18)12-13-6-1-4-10-17(13)24/h1-11H,12H2,(H,26,28,31)
InChIKeyGOCQIYKUVCJWAG-UHFFFAOYSA-N
XLogP5.04
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.91
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 130243560
N-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123253972
N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide
CID 154023247
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 19256591
5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 60576166
1-[(2,4-dichlorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 11638366
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 1409785
1-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621080
N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 142185000
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4222808
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 122134190
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 176585431

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide (CID 130243949) is N-[5-(2-chlorophenyl)-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-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide is O=C(Nc1nnc(-c2ccccc2Cl)s1)c1nn(Cc2ccccc2F)c2ncccc12.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is GOCQIYKUVCJWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN6OS/c23-16-9-3-2-7-14(16)21-27-28-22(32-21)26-20(31)18-15-8-5-11-25-19(15)30(29-18)12-13-6-1-4-10-17(13)24/h1-11H,12H2,(H,26,28,31).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 464.91 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 130243949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).