5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C69H60F3N13O3 — CID 161354340

IUPAC5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc2n[nH]c(CNC(=O)c3cncc(Cc4ccc(C#N)cc4)c3)c2c1.Cc1ccc2n[nH]c(CNC(=O)c3cncc(Cc4ccc(C(F)(F)F)cc4)c3)c2c1.Cc1ccc2n[nH]c(CNC(=O)c3cncc(Cc4ccccc4C)c3)c2c1
InChIInChI=1S/C23H19F3N4O.C23H19N5O.C23H22N4O/c1-14-2-7-20-19(8-14)21(30-29-20)13-28-22(31)17-10-16(11-27-12-17)9-15-3-5-18(6-4-15)23(24,25)26;1-15-2-7-21-20(8-15)22(28-27-21)14-26-23(29)19-10-18(12-25-13-19)9-16-3-5-17(11-24)6-4-16;1-15-7-8-21-20(9-15)22(27-26-21)14-25-23(28)19-11-17(12-24-13-19)10-18-6-4-3-5-16(18)2/h2-8,10-12H,9,13H2,1H3,(H,28,31)(H,29,30);2-8,10,12-13H,9,14H2,1H3,(H,26,29)(H,27,28);3-9,11-13H,10,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyVOIKOBGDYSXNTK-UHFFFAOYSA-N
MW1176.32 g/mol
LogP12.56
Rot. Bonds15

About 5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 161354340) has the molecular formula C69H60F3N13O3 and a molecular weight of 1176.32 g/mol. Its IUPAC name is 5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID161354340
Molecular FormulaC69H60F3N13O3
Molecular Weight1176.32 g/mol
Exact Mass1175.49
IUPAC Name5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc2n[nH]c(CNC(=O)c3cncc(Cc4ccc(C#N)cc4)c3)c2c1.Cc1ccc2n[nH]c(CNC(=O)c3cncc(Cc4ccc(C(F)(F)F)cc4)c3)c2c1.Cc1ccc2n[nH]c(CNC(=O)c3cncc(Cc4ccccc4C)c3)c2c1
InChIInChI=1S/C23H19F3N4O.C23H19N5O.C23H22N4O/c1-14-2-7-20-19(8-14)21(30-29-20)13-28-22(31)17-10-16(11-27-12-17)9-15-3-5-18(6-4-15)23(24,25)26;1-15-2-7-21-20(8-15)22(28-27-21)14-26-23(29)19-10-18(12-25-13-19)9-16-3-5-17(11-24)6-4-16;1-15-7-8-21-20(9-15)22(27-26-21)14-25-23(28)19-11-17(12-24-13-19)10-18-6-4-3-5-16(18)2/h2-8,10-12H,9,13H2,1H3,(H,28,31)(H,29,30);2-8,10,12-13H,9,14H2,1H3,(H,26,29)(H,27,28);3-9,11-13H,10,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyVOIKOBGDYSXNTK-UHFFFAOYSA-N
XLogP12.56
TPSA235.80 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001176.32
LogP ≤ 512.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

(R)-4-((1H-indazol-6-yl)amino)-6-(3-cyano-pyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl) nicotinamide
CID 138703932
(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-((3-methyl-1H-indazol-6-yl)amino) nicotinamide
CID 138704376
(R)-4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)nicotinamide
CID 138704490
(R)-4-((4-(1H-pyrazol-3-yl)phenyl)amino)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)nicotinamide
CID 138704710
N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137313055
US10689345, Example 120
CID 155803043
6-[2-[9-[6-[(6S,8R)-7-(2,2-difluoroethyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164923489
2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164923669
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(1H-indazol-5-yl)quinoline-4-carboxamide
CID 151064274
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-[(E)-2-(1H-indazol-5-yl)ethenyl]quinoline-4-carboxamide
CID 152738744
US12473304, Example 95
CID 156828907
US12473304, Example 346
CID 156829379

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 161354340) is 5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is Cc1ccc2n[nH]c(CNC(=O)c3cncc(Cc4ccc(C#N)cc4)c3)c2c1.Cc1ccc2n[nH]c(CNC(=O)c3cncc(Cc4ccc(C(F)(F)F)cc4)c3)c2c1.Cc1ccc2n[nH]c(CNC(=O)c3cncc(Cc4ccccc4C)c3)c2c1.
What is the InChIKey of 5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is VOIKOBGDYSXNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O.C23H19N5O.C23H22N4O/c1-14-2-7-20-19(8-14)21(30-29-20)13-28-22(31)17-10-16(11-27-12-17)9-15-3-5-18(6-4-15)23(24,25)26;1-15-2-7-21-20(8-15)22(28-27-21)14-26-23(29)19-10-18(12-25-13-19)9-16-3-5-17(11-24)6-4-16;1-15-7-8-21-20(9-15)22(27-26-21)14-25-23(28)19-11-17(12-24-13-19)10-18-6-4-3-5-16(18)2/h2-8,10-12H,9,13H2,1H3,(H,28,31)(H,29,30);2-8,10,12-13H,9,14H2,1H3,(H,26,29)(H,27,28);3-9,11-13H,10,14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 1176.32 g/mol, XLogP of 12.56, 15 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 161354340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).