N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide

C115H87ClF13N35O8S — CID 159620205

About N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide

N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 159620205) has the molecular formula C115H87ClF13N35O8S and a molecular weight of 2401.69 g/mol. Its IUPAC name is N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 159620205
• Molecular Formula: C115H87ClF13N35O8S
• Molecular Weight: 2401.69 g/mol
• Exact Mass: 2399.67
• IUPAC Name: N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide
• SMILES: Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(C4CC4)ccc3C(F)(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(Cl)ccc3C(F)(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccc(C(F)F)cc3)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cccc(C(F)F)c3)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3S(C)(=O)=O)[nH]c2n1.O=C(Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1)c1ncc2ccccn12
• InChI: InChI=1S/C22H14F3N5O.C21H17F3N6O.C18H12ClF3N6O.2C18H14F2N6O.C18H16N6O3S/c23-22(24,25)16-7-2-1-6-15(16)17-11-13-8-9-18(28-19(13)27-17)29-21(31)20-26-12-14-5-3-4-10-30(14)20;1-30-19(25-10-26-30)20(31)29-17-7-5-13-9-16(27-18(13)28-17)14-8-12(11-2-3-11)4-6-15(14)21(22,23)24;1-28-16(23-8-24-28)17(29)27-14-5-2-9-6-13(25-15(9)26-14)11-7-10(19)3-4-12(11)18(20,21)22;1-26-17(21-9-22-26)18(27)25-14-7-6-12-8-13(23-16(12)24-14)10-2-4-11(5-3-10)15(19)20;1-26-17(21-9-22-26)18(27)25-14-6-5-12-8-13(23-16(12)24-14)10-3-2-4-11(7-10)15(19)20;1-24-17(19-10-20-24)18(25)23-15-8-7-11-9-13(21-16(11)22-15)12-5-3-4-6-14(12)28(2,26)27/h1-12H,(H2,27,28,29,31);4-11H,2-3H2,1H3,(H2,27,28,29,31);2-8H,1H3,(H2,25,26,27,29);2*2-9,15H,1H3,(H2,23,24,25,27);3-10H,1-2H3,(H2,21,22,23,25)
• InChIKey: MNUMGCGDQLCLLJ-UHFFFAOYSA-N
• XLogP: 23.05
• TPSA: 551.67 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.69
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide (CID 159620205) is N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide is Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(C4CC4)ccc3C(F)(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(Cl)ccc3C(F)(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccc(C(F)F)cc3)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3cccc(C(F)F)c3)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3S(C)(=O)=O)[nH]c2n1.O=C(Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1)c1ncc2ccccn12.

What is the InChIKey of N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide?

The InChIKey is MNUMGCGDQLCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O.C21H17F3N6O.C18H12ClF3N6O.2C18H14F2N6O.C18H16N6O3S/c23-22(24,25)16-7-2-1-6-15(16)17-11-13-8-9-18(28-19(13)27-17)29-21(31)20-26-12-14-5-3-4-10-30(14)20;1-30-19(25-10-26-30)20(31)29-17-7-5-13-9-16(27-18(13)28-17)14-8-12(11-2-3-11)4-6-15(14)21(22,23)24;1-28-16(23-8-24-28)17(29)27-14-5-2-9-6-13(25-15(9)26-14)11-7-10(19)3-4-12(11)18(20,21)22;1-26-17(21-9-22-26)18(27)25-14-7-6-12-8-13(23-16(12)24-14)10-2-4-11(5-3-10)15(19)20;1-26-17(21-9-22-26)18(27)25-14-6-5-12-8-13(23-16(12)24-14)10-3-2-4-11(7-10)15(19)20;1-24-17(19-10-20-24)18(25)23-15-8-7-11-9-13(21-16(11)22-15)12-5-3-4-6-14(12)28(2,26)27/h1-12H,(H2,27,28,29,31);4-11H,2-3H2,1H3,(H2,27,28,29,31);2-8H,1H3,(H2,25,26,27,29);2*2-9,15H,1H3,(H2,23,24,25,27);3-10H,1-2H3,(H2,21,22,23,25).

What are the key properties of N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide?

N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 2401.69 g/mol, XLogP of 23.05, 22 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[3-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylsulfonylphenyl)-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]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 159620205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).