N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide

C113H86F13N31O6 — CID 159138955

About N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide

N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 159138955) has the molecular formula C113H86F13N31O6 and a molecular weight of 2221.12 g/mol. Its IUPAC name is N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide
• PubChem CID: 159138955
• Molecular Formula: C113H86F13N31O6
• Molecular Weight: 2221.12 g/mol
• Exact Mass: 2219.72
• IUPAC Name: N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide
• SMILES: Cc1cccc(-c2cc3ccc(NC(=O)c4ccnn4C)nc3[nH]2)c1.Cc1ccccc1-c1cc2ccc(NC(=O)c3ccnn3C)nc2[nH]1.Cn1nccc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cccc(F)c3C(F)(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1.O=C(Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1)c1ccccn1
• InChI: InChI=1S/C20H13F3N4O.C19H14F3N5O.2C19H17N5O.C18H12F4N6O.C18H13F3N6O/c21-20(22,23)14-6-2-1-5-13(14)16-11-12-8-9-17(26-18(12)25-16)27-19(28)15-7-3-4-10-24-15;1-27-15(8-9-23-27)18(28)26-16-7-6-11-10-14(24-17(11)25-16)12-4-2-3-5-13(12)19(20,21)22;1-12-4-3-5-13(10-12)15-11-14-6-7-17(22-18(14)21-15)23-19(25)16-8-9-20-24(16)2;1-12-5-3-4-6-14(12)15-11-13-7-8-17(22-18(13)21-15)23-19(25)16-9-10-20-24(16)2;1-28-16(23-8-24-28)17(29)27-13-6-5-9-7-12(25-15(9)26-13)10-3-2-4-11(19)14(10)18(20,21)22;1-27-16(22-9-23-27)17(28)26-14-7-6-10-8-13(24-15(10)25-14)11-4-2-3-5-12(11)18(19,20)21/h1-11H,(H2,25,26,27,28);2-10H,1H3,(H2,24,25,26,28);2*3-11H,1-2H3,(H2,21,22,23,25);2-8H,1H3,(H2,25,26,27,29);2-9H,1H3,(H2,24,25,26,28)
• InChIKey: KHVYOFUXTPTGHV-UHFFFAOYSA-N
• XLogP: 23.58
• TPSA: 474.45 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2221.12
LogP ≤ 5	23.58
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide?

The IUPAC name of N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide (CID 159138955) is N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide is Cc1cccc(-c2cc3ccc(NC(=O)c4ccnn4C)nc3[nH]2)c1.Cc1ccccc1-c1cc2ccc(NC(=O)c3ccnn3C)nc2[nH]1.Cn1nccc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cccc(F)c3C(F)(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1.O=C(Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1)c1ccccn1.

What is the InChIKey of N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide?

The InChIKey is KHVYOFUXTPTGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O.C19H14F3N5O.2C19H17N5O.C18H12F4N6O.C18H13F3N6O/c21-20(22,23)14-6-2-1-5-13(14)16-11-12-8-9-17(26-18(12)25-16)27-19(28)15-7-3-4-10-24-15;1-27-15(8-9-23-27)18(28)26-16-7-6-11-10-14(24-17(11)25-16)12-4-2-3-5-13(12)19(20,21)22;1-12-4-3-5-13(10-12)15-11-14-6-7-17(22-18(14)21-15)23-19(25)16-8-9-20-24(16)2;1-12-5-3-4-6-14(12)15-11-13-7-8-17(22-18(13)21-15)23-19(25)16-9-10-20-24(16)2;1-28-16(23-8-24-28)17(29)27-13-6-5-9-7-12(25-15(9)26-13)10-3-2-4-11(19)14(10)18(20,21)22;1-27-16(22-9-23-27)17(28)26-14-7-6-10-8-13(24-15(10)25-14)11-4-2-3-5-12(11)18(19,20)21/h1-11H,(H2,25,26,27,28);2-10H,1H3,(H2,24,25,26,28);2*3-11H,1-2H3,(H2,21,22,23,25);2-8H,1H3,(H2,25,26,27,29);2-9H,1H3,(H2,24,25,26,28).

What are the key properties of N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide?

N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 2221.12 g/mol, XLogP of 23.58, 18 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 159138955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).