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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide

C114H92ClF13N36O6 — CID 159275931

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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 159275931) has the molecular formula C114H92ClF13N36O6 and a molecular weight of 2344.66 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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
• PubChem CID: 159275931
• Molecular Formula: C114H92ClF13N36O6
• Molecular Weight: 2344.66 g/mol
• Exact Mass: 2342.75
• 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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
• SMILES: Cc1cc2cc(-c3ccccc3C(F)(F)F)[nH]c2nc1NC(=O)c1ncnn1C.Cc1ccc(C(F)(F)F)c(-c2cc3ccc(NC(=O)c4ncnn4C)nc3[nH]2)c1.Cc1ccc(C(F)(F)F)c(-c2cc3ccc(NC(=O)c4ncnn4C)nc3[nH]2)c1.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(-c3ccccc3C3CC3)[nH]c2n1
• InChI: InChI=1S/C20H18N6O.3C19H15F3N6O.C19H16F2N6O.C18H13ClF2N6O/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;2*1-10-3-5-13(19(20,21)22)12(7-10)14-8-11-4-6-15(26-16(11)25-14)27-18(29)17-23-9-24-28(17)2;1-10-7-11-8-14(12-5-3-4-6-13(12)19(20,21)22)25-16(11)26-15(10)27-18(29)17-23-9-24-28(17)2;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;1-27-17(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/h2-5,8-12H,6-7H2,1H3,(H2,23,24,25,27);3*3-9H,1-2H3,(H2,25,26,27,29);3-9,16H,1-2H3,(H2,24,25,26,28);2-8,15H,1H3,(H2,24,25,26,28)
• InChIKey: KYHQZIZSXFXSPY-UHFFFAOYSA-N
• XLogP: 23.36
• TPSA: 530.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.66
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide (CID 159275931) 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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide is Cc1cc2cc(-c3ccccc3C(F)(F)F)[nH]c2nc1NC(=O)c1ncnn1C.Cc1ccc(C(F)(F)F)c(-c2cc3ccc(NC(=O)c4ncnn4C)nc3[nH]2)c1.Cc1ccc(C(F)(F)F)c(-c2cc3ccc(NC(=O)c4ncnn4C)nc3[nH]2)c1.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(-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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide?

The InChIKey is KYHQZIZSXFXSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O.3C19H15F3N6O.C19H16F2N6O.C18H13ClF2N6O/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;2*1-10-3-5-13(19(20,21)22)12(7-10)14-8-11-4-6-15(26-16(11)25-14)27-18(29)17-23-9-24-28(17)2;1-10-7-11-8-14(12-5-3-4-6-13(12)19(20,21)22)25-16(11)26-15(10)27-18(29)17-23-9-24-28(17)2;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;1-27-17(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/h2-5,8-12H,6-7H2,1H3,(H2,23,24,25,27);3*3-9H,1-2H3,(H2,25,26,27,29);3-9,16H,1-2H3,(H2,24,25,26,28);2-8,15H,1H3,(H2,24,25,26,28).

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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 2344.66 g/mol, XLogP of 23.36, 21 rotatable bonds, 12 hydrogen bond donors, and 30 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-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;bis(2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide);2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 159275931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).