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

C25H21FN6O — CID 55635669

IUPACN-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)n(C)n1
InChIInChI=1S/C25H21FN6O/c1-16-11-23(31(2)30-16)29-25(33)20-13-22(18-8-4-3-5-9-18)28-24-21(20)14-27-32(24)15-17-7-6-10-19(26)12-17/h3-14H,15H2,1-2H3,(H,29,33)
InChIKeyFEXPUYLCYWSRBP-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.58
Rot. Bonds5

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

N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55635669) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55635669
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)n(C)n1
InChIInChI=1S/C25H21FN6O/c1-16-11-23(31(2)30-16)29-25(33)20-13-22(18-8-4-3-5-9-18)28-24-21(20)14-27-32(24)15-17-7-6-10-19(26)12-17/h3-14H,15H2,1-2H3,(H,29,33)
InChIKeyFEXPUYLCYWSRBP-UHFFFAOYSA-N
XLogP4.58
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55635669) is N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FEXPUYLCYWSRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O/c1-16-11-23(31(2)30-16)29-25(33)20-13-22(18-8-4-3-5-9-18)28-24-21(20)14-27-32(24)15-17-7-6-10-19(26)12-17/h3-14H,15H2,1-2H3,(H,29,33).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55635669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).