N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

C115H90F13N33O7S — CID 159327166

About N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 159327166) has the molecular formula C115H90F13N33O7S and a molecular weight of 2325.25 g/mol. Its IUPAC name is N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
• PubChem CID: 159327166
• Molecular Formula: C115H90F13N33O7S
• Molecular Weight: 2325.25 g/mol
• Exact Mass: 2323.72
• IUPAC Name: N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
• SMILES: CN(C(=O)c1ncnn1C)c1cc2[nH]c(-c3cc(F)ccc3C(F)F)cc2cn1.Cc1scnc1C(=O)Nc1cc2[nH]c(-c3ccccc3C(F)F)cc2cn1.Cn1cccc1C(=O)Nc1cc2[nH]c(-c3ccccc3C(F)F)cc2cn1.Cn1ncnc1C(=O)Nc1cc2[nH]c(-c3cc(C(F)F)ccc3F)cc2cn1.Cn1ncnc1C(=O)Nc1cc2[nH]c(-c3ccccc3C(C)(C)O)cc2cn1.[C-]#[N+]c1ccc(C(F)(F)F)c(-c2cc3cnc(NC(=O)c4ncnn4C)cc3[nH]2)c1
• InChI: InChI=1S/C20H16F2N4O.C20H20N6O2.C19H12F3N7O.C19H15F3N6O.C19H14F2N4OS.C18H13F3N6O/c1-26-8-4-7-17(26)20(27)25-18-10-15-12(11-23-18)9-16(24-15)13-5-2-3-6-14(13)19(21)22;1-20(2,28)14-7-5-4-6-13(14)16-8-12-10-21-17(9-15(12)24-16)25-19(27)18-22-11-23-26(18)3;1-23-11-3-4-13(19(20,21)22)12(6-11)15-5-10-8-24-16(7-14(10)27-15)28-18(30)17-25-9-26-29(17)2;1-27(19(29)18-24-9-25-28(18)2)16-7-14-10(8-23-16)5-15(26-14)13-6-11(20)3-4-12(13)17(21)22;1-10-17(23-9-27-10)19(26)25-16-7-14-11(8-22-16)6-15(24-14)12-4-2-3-5-13(12)18(20)21;1-27-17(23-8-24-27)18(28)26-15-6-13-10(7-22-15)5-14(25-13)11-4-9(16(20)21)2-3-12(11)19/h2-11,19,24H,1H3,(H,23,25,27);4-11,24,28H,1-3H3,(H,21,25,27);3-9,27H,2H3,(H,24,28,30);3-9,17,26H,1-2H3;2-9,18,24H,1H3,(H,22,25,26);2-8,16,25H,1H3,(H,22,26,28)
• InChIKey: LEMYCWRZTPWHIS-UHFFFAOYSA-N
• XLogP: 24.36
• TPSA: 503.14 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2325.25
LogP ≤ 5	24.36
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The IUPAC name of N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 159327166) is N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The canonical SMILES for N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is CN(C(=O)c1ncnn1C)c1cc2[nH]c(-c3cc(F)ccc3C(F)F)cc2cn1.Cc1scnc1C(=O)Nc1cc2[nH]c(-c3ccccc3C(F)F)cc2cn1.Cn1cccc1C(=O)Nc1cc2[nH]c(-c3ccccc3C(F)F)cc2cn1.Cn1ncnc1C(=O)Nc1cc2[nH]c(-c3cc(C(F)F)ccc3F)cc2cn1.Cn1ncnc1C(=O)Nc1cc2[nH]c(-c3ccccc3C(C)(C)O)cc2cn1.[C-]#[N+]c1ccc(C(F)(F)F)c(-c2cc3cnc(NC(=O)c4ncnn4C)cc3[nH]2)c1.

What is the InChIKey of N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The InChIKey is LEMYCWRZTPWHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O.C20H20N6O2.C19H12F3N7O.C19H15F3N6O.C19H14F2N4OS.C18H13F3N6O/c1-26-8-4-7-17(26)20(27)25-18-10-15-12(11-23-18)9-16(24-15)13-5-2-3-6-14(13)19(21)22;1-20(2,28)14-7-5-4-6-13(14)16-8-12-10-21-17(9-15(12)24-16)25-19(27)18-22-11-23-26(18)3;1-23-11-3-4-13(19(20,21)22)12(6-11)15-5-10-8-24-16(7-14(10)27-15)28-18(30)17-25-9-26-29(17)2;1-27(19(29)18-24-9-25-28(18)2)16-7-14-10(8-23-16)5-15(26-14)13-6-11(20)3-4-12(13)17(21)22;1-10-17(23-9-27-10)19(26)25-16-7-14-11(8-22-16)6-15(24-14)12-4-2-3-5-13(12)18(20)21;1-27-17(23-8-24-27)18(28)26-15-6-13-10(7-22-15)5-14(25-13)11-4-9(16(20)21)2-3-12(11)19/h2-11,19,24H,1H3,(H,23,25,27);4-11,24,28H,1-3H3,(H,21,25,27);3-9,27H,2H3,(H,24,28,30);3-9,17,26H,1-2H3;2-9,18,24H,1H3,(H,22,25,26);2-8,16,25H,1H3,(H,22,26,28).

What are the key properties of N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 2325.25 g/mol, XLogP of 24.36, 23 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 159327166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).