3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

C75H53Br2Cl2F10N23O5 — CID 158500224

About 3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 158500224) has the molecular formula C75H53Br2Cl2F10N23O5 and a molecular weight of 1777.10 g/mol. Its IUPAC name is 3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
• PubChem CID: 158500224
• Molecular Formula: C75H53Br2Cl2F10N23O5
• Molecular Weight: 1777.10 g/mol
• Exact Mass: 1773.22
• IUPAC Name: 3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
• SMILES: CC(=O)c1cc(C(=O)Nc2ccc3cc(-c4ccccc4C(F)(F)F)[nH]c3n2)n(C)n1.Cn1ncnc1C(=O)Nc1ccc2c(Br)c(-c3cc(Cl)ccc3C(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2c(Br)c(-c3ccccc3C(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2c(Cl)c(-c3cc(F)ccc3C(F)F)[nH]c2n1
• InChI: InChI=1S/C21H16F3N5O2.C18H12BrClF2N6O.C18H13BrF2N6O.C18H12ClF3N6O/c1-11(30)15-10-17(29(2)28-15)20(31)27-18-8-7-12-9-16(25-19(12)26-18)13-5-3-4-6-14(13)21(22,23)24;1-28-17(23-7-24-28)18(29)26-12-5-4-10-13(19)14(27-16(10)25-12)11-6-8(20)2-3-9(11)15(21)22;1-27-17(22-8-23-27)18(28)25-12-7-6-11-13(19)14(26-16(11)24-12)9-4-2-3-5-10(9)15(20)21;1-28-17(23-7-24-28)18(29)26-12-5-4-10-13(19)14(27-16(10)25-12)11-6-8(20)2-3-9(11)15(21)22/h3-10H,1-2H3,(H2,25,26,27,31);2-7,15H,1H3,(H2,25,26,27,29);2-8,15H,1H3,(H2,24,25,26,28);2-7,15H,1H3,(H2,25,26,27,29)
• InChIKey: HJUIJDVNFFIGSU-UHFFFAOYSA-N
• XLogP: 18.05
• TPSA: 358.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1777.10
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The IUPAC name of 3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 158500224) is 3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for 3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The canonical SMILES for 3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is CC(=O)c1cc(C(=O)Nc2ccc3cc(-c4ccccc4C(F)(F)F)[nH]c3n2)n(C)n1.Cn1ncnc1C(=O)Nc1ccc2c(Br)c(-c3cc(Cl)ccc3C(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2c(Br)c(-c3ccccc3C(F)F)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2c(Cl)c(-c3cc(F)ccc3C(F)F)[nH]c2n1.

What is the InChIKey of 3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The InChIKey is HJUIJDVNFFIGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2.C18H12BrClF2N6O.C18H13BrF2N6O.C18H12ClF3N6O/c1-11(30)15-10-17(29(2)28-15)20(31)27-18-8-7-12-9-16(25-19(12)26-18)13-5-3-4-6-14(13)21(22,23)24;1-28-17(23-7-24-28)18(29)26-12-5-4-10-13(19)14(27-16(10)25-12)11-6-8(20)2-3-9(11)15(21)22;1-27-17(22-8-23-27)18(28)25-12-7-6-11-13(19)14(26-16(11)24-12)9-4-2-3-5-10(9)15(20)21;1-28-17(23-7-24-28)18(29)26-12-5-4-10-13(19)14(27-16(10)25-12)11-6-8(20)2-3-9(11)15(21)22/h3-10H,1-2H3,(H2,25,26,27,31);2-7,15H,1H3,(H2,25,26,27,29);2-8,15H,1H3,(H2,24,25,26,28);2-7,15H,1H3,(H2,25,26,27,29).

What are the key properties of 3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 1777.10 g/mol, XLogP of 18.05, 16 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[3-bromo-2-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-bromo-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[3-chloro-2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 158500224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).