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

C27H20FN5O2 — CID 26689268

IUPACN-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)cc1
InChIInChI=1S/C27H20FN5O2/c28-20-8-4-5-17(13-20)16-33-26-23(15-30-33)22(14-24(32-26)18-6-2-1-3-7-18)27(35)31-21-11-9-19(10-12-21)25(29)34/h1-15H,16H2,(H2,29,34)(H,31,35)
InChIKeyOMDDKBSEIABTLI-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.64
Rot. Bonds6

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

N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 26689268) has the molecular formula C27H20FN5O2 and a molecular weight of 465.49 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID26689268
Molecular FormulaC27H20FN5O2
Molecular Weight465.49 g/mol
Exact Mass465.16
IUPAC NameN-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)cc1
InChIInChI=1S/C27H20FN5O2/c28-20-8-4-5-17(13-20)16-33-26-23(15-30-33)22(14-24(32-26)18-6-2-1-3-7-18)27(35)31-21-11-9-19(10-12-21)25(29)34/h1-15H,16H2,(H2,29,34)(H,31,35)
InChIKeyOMDDKBSEIABTLI-UHFFFAOYSA-N
XLogP4.64
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167862830
N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55635669
1-[(3-fluorophenyl)methyl]-N-(1-hydroxypropan-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112818183
N'-(cyclopropanecarbonyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 26586837
1-[(3-fluorophenyl)methyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27743291
[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 167909704
[2-(ethoxycarbonylamino)-2-oxoethyl] 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42011076
1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55858160
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-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55554031
6-(3-fluorophenyl)-N-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802464

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 26689268) is N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is NC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OMDDKBSEIABTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN5O2/c28-20-8-4-5-17(13-20)16-33-26-23(15-30-33)22(14-24(32-26)18-6-2-1-3-7-18)27(35)31-21-11-9-19(10-12-21)25(29)34/h1-15H,16H2,(H2,29,34)(H,31,35).
What are the key properties of N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 26689268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).