1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H18FN7O — CID 167862830

IUPAC1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)n[nH]1
InChIInChI=1S/C23H18FN7O/c1-14-26-23(30-29-14)28-22(32)18-11-20(16-7-3-2-4-8-16)27-21-19(18)12-25-31(21)13-15-6-5-9-17(24)10-15/h2-12H,13H2,1H3,(H2,26,28,29,30,32)
InChIKeyIPLYIAGCTYDBKA-UHFFFAOYSA-N
MW427.44 g/mol
LogP3.96
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 167862830) has the molecular formula C23H18FN7O and a molecular weight of 427.44 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID167862830
Molecular FormulaC23H18FN7O
Molecular Weight427.44 g/mol
Exact Mass427.16
IUPAC Name1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)n[nH]1
InChIInChI=1S/C23H18FN7O/c1-14-26-23(30-29-14)28-22(32)18-11-20(16-7-3-2-4-8-16)27-21-19(18)12-25-31(21)13-15-6-5-9-17(24)10-15/h2-12H,13H2,1H3,(H2,26,28,29,30,32)
InChIKeyIPLYIAGCTYDBKA-UHFFFAOYSA-N
XLogP3.96
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55635669
N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26689268
1-[(3-fluorophenyl)methyl]-N-(1-hydroxypropan-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112818183
1-[(3-fluorophenyl)methyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27743291
N'-(cyclopropanecarbonyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 26586837
[2-(ethoxycarbonylamino)-2-oxoethyl] 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42011076
[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 167909704
1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55858160
1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199022
1-benzyl-N-(2-methylsulfonylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535001
[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 24575624
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 167862830) is 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)n[nH]1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IPLYIAGCTYDBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O/c1-14-26-23(30-29-14)28-22(32)18-11-20(16-7-3-2-4-8-16)27-21-19(18)12-25-31(21)13-15-6-5-9-17(24)10-15/h2-12H,13H2,1H3,(H2,26,28,29,30,32).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 427.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 167862830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).