N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

C112H90ClF5N38O6 — CID 157329271

About N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 157329271) has the molecular formula C112H90ClF5N38O6 and a molecular weight of 2194.65 g/mol. Its IUPAC name is N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
• PubChem CID: 157329271
• Molecular Formula: C112H90ClF5N38O6
• Molecular Weight: 2194.65 g/mol
• Exact Mass: 2192.75
• IUPAC Name: N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
• SMILES: CCc1ccccc1-c1cc2ccc(NC(=O)c3ncnn3C)nc2[nH]1.Cc1ccc(C(F)F)c(-c2cc3ccc(NC(=O)c4ncnn4C)nc3[nH]2)c1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(Cl)ccc3C(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(F)ccc3C#N)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C#N)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C3CC3)[nH]c2n1
• InChI: InChI=1S/C20H18N6O.C19H16F2N6O.C19H18N6O.C18H13ClF2N6O.C18H12FN7O.C18H13N7O/c1-26-19(21-11-22-26)20(27)25-17-9-8-13-10-16(23-18(13)24-17)15-5-3-2-4-14(15)12-6-7-12;1-10-3-5-12(16(20)21)13(7-10)14-8-11-4-6-15(25-17(11)24-14)26-19(28)18-22-9-23-27(18)2;1-3-12-6-4-5-7-14(12)15-10-13-8-9-16(23-17(13)22-15)24-19(26)18-20-11-21-25(18)2;1-27-17(22-8-23-27)18(28)26-14-5-2-9-6-13(24-16(9)25-14)12-7-10(19)3-4-11(12)15(20)21;1-26-17(21-9-22-26)18(27)25-15-5-3-10-6-14(23-16(10)24-15)13-7-12(19)4-2-11(13)8-20;1-25-17(20-10-21-25)18(26)24-15-7-6-11-8-14(22-16(11)23-15)13-5-3-2-4-12(13)9-19/h2-5,8-12H,6-7H2,1H3,(H2,23,24,25,27);3-9,16H,1-2H3,(H2,24,25,26,28);4-11H,3H2,1-2H3,(H2,22,23,24,26);2-8,15H,1H3,(H2,24,25,26,28);2-7,9H,1H3,(H2,23,24,25,27);2-8,10H,1H3,(H2,22,23,24,26)
• InChIKey: BFCDTJDQJWQYFJ-UHFFFAOYSA-N
• XLogP: 19.82
• TPSA: 578.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2194.65
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The IUPAC name of N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 157329271) is N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The canonical SMILES for N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is CCc1ccccc1-c1cc2ccc(NC(=O)c3ncnn3C)nc2[nH]1.Cc1ccc(C(F)F)c(-c2cc3ccc(NC(=O)c4ncnn4C)nc3[nH]2)c1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(Cl)ccc3C(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(F)ccc3C#N)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C#N)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C3CC3)[nH]c2n1.

What is the InChIKey of N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The InChIKey is BFCDTJDQJWQYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O.C19H16F2N6O.C19H18N6O.C18H13ClF2N6O.C18H12FN7O.C18H13N7O/c1-26-19(21-11-22-26)20(27)25-17-9-8-13-10-16(23-18(13)24-17)15-5-3-2-4-14(15)12-6-7-12;1-10-3-5-12(16(20)21)13(7-10)14-8-11-4-6-15(25-17(11)24-14)26-19(28)18-22-9-23-27(18)2;1-3-12-6-4-5-7-14(12)15-10-13-8-9-16(23-17(13)22-15)24-19(26)18-20-11-21-25(18)2;1-27-17(22-8-23-27)18(28)26-14-5-2-9-6-13(24-16(9)25-14)12-7-10(19)3-4-11(12)15(20)21;1-26-17(21-9-22-26)18(27)25-15-5-3-10-6-14(23-16(10)24-15)13-7-12(19)4-2-11(13)8-20;1-25-17(20-10-21-25)18(26)24-15-7-6-11-8-14(22-16(11)23-15)13-5-3-2-4-12(13)9-19/h2-5,8-12H,6-7H2,1H3,(H2,23,24,25,27);3-9,16H,1-2H3,(H2,24,25,26,28);4-11H,3H2,1-2H3,(H2,22,23,24,26);2-8,15H,1H3,(H2,24,25,26,28);2-7,9H,1H3,(H2,23,24,25,27);2-8,10H,1H3,(H2,22,23,24,26).

What are the key properties of N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 2194.65 g/mol, XLogP of 19.82, 22 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyano-5-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-methylphenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 157329271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).