N-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C23H19F3N4O2 — CID 134797155

IUPACN-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3c2cnn3C)c1
InChIInChI=1S/C23H19F3N4O2/c1-30-21-19(13-28-30)18(22(31)27-12-14-5-3-8-17(9-14)32-2)11-20(29-21)15-6-4-7-16(10-15)23(24,25)26/h3-11,13H,12H2,1-2H3,(H,27,31)
InChIKeyUVBUOSQPLOXMPS-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.59
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

N-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134797155) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134797155
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3c2cnn3C)c1
InChIInChI=1S/C23H19F3N4O2/c1-30-21-19(13-28-30)18(22(31)27-12-14-5-3-8-17(9-14)32-2)11-20(29-21)15-6-4-7-16(10-15)23(24,25)26/h3-11,13H,12H2,1-2H3,(H,27,31)
InChIKeyUVBUOSQPLOXMPS-UHFFFAOYSA-N
XLogP4.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bay-1217389
CID 78320750
4-(azetidine-1-carbonyl)-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378843
4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
HCAR2 agonist 1
CID 25101223
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52934379
US9555022, Example 02.44
CID 54770807
US9663510, Example 01.07
CID 71577161
N-cyclopropyl-4-[6-(3-fluoro-4-methoxybenzoyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735277
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
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CID 75202872
CID 75202872

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134797155) is N-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3c2cnn3C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UVBUOSQPLOXMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-30-21-19(13-28-30)18(22(31)27-12-14-5-3-8-17(9-14)32-2)11-20(29-21)15-6-4-7-16(10-15)23(24,25)26/h3-11,13H,12H2,1-2H3,(H,27,31).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134797155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).