N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

C59H51BrClF9N14O10S3 — CID 160574507

About N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (PubChem CID 160574507) has the molecular formula C59H51BrClF9N14O10S3 and a molecular weight of 1498.68 g/mol. Its IUPAC name is N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

• Compound Name: N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
• PubChem CID: 160574507
• Molecular Formula: C59H51BrClF9N14O10S3
• Molecular Weight: 1498.68 g/mol
• Exact Mass: 1496.18
• IUPAC Name: N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCOCC5)nc4)cc3c2)c1F.O=C(Nc1cnc2[nH]cc(Br)c2c1)c1c(F)ccc(NS(=O)(=O)CC(F)(F)F)c1F.O=C(Nc1cnc2[nH]ccc2c1)c1c(Cl)ccc(NS(=O)(=O)CCCF)c1F
• InChI: InChI=1S/C26H26F2N6O4S.C17H15ClF2N4O3S.C16H10BrF5N4O3S/c1-2-11-39(36,37)33-20-5-4-19(27)23(24(20)28)26(35)31-18-12-17-13-21(32-25(17)30-15-18)16-3-6-22(29-14-16)34-7-9-38-10-8-34;18-12-2-3-13(24-28(26,27)7-1-5-19)15(20)14(12)17(25)23-11-8-10-4-6-21-16(10)22-9-11;17-9-5-24-14-8(9)3-7(4-23-14)25-15(27)12-10(18)1-2-11(13(12)19)26-30(28,29)6-16(20,21)22/h3-6,12-15,33H,2,7-11H2,1H3,(H,30,32)(H,31,35);2-4,6,8-9,24H,1,5,7H2,(H,21,22)(H,23,25);1-5,26H,6H2,(H,23,24)(H,25,27)
• InChIKey: RAYXCOCFBMNKES-UHFFFAOYSA-N
• XLogP: 12.01
• TPSA: 337.21 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1498.68
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?

The IUPAC name of N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (CID 160574507) is N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.

What is the SMILES notation for N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?

The canonical SMILES for N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCOCC5)nc4)cc3c2)c1F.O=C(Nc1cnc2[nH]cc(Br)c2c1)c1c(F)ccc(NS(=O)(=O)CC(F)(F)F)c1F.O=C(Nc1cnc2[nH]ccc2c1)c1c(Cl)ccc(NS(=O)(=O)CCCF)c1F.

What is the InChIKey of N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?

The InChIKey is RAYXCOCFBMNKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O4S.C17H15ClF2N4O3S.C16H10BrF5N4O3S/c1-2-11-39(36,37)33-20-5-4-19(27)23(24(20)28)26(35)31-18-12-17-13-21(32-25(17)30-15-18)16-3-6-22(29-14-16)34-7-9-38-10-8-34;18-12-2-3-13(24-28(26,27)7-1-5-19)15(20)14(12)17(25)23-11-8-10-4-6-21-16(10)22-9-11;17-9-5-24-14-8(9)3-7(4-23-14)25-15(27)12-10(18)1-2-11(13(12)19)26-30(28,29)6-16(20,21)22/h3-6,12-15,33H,2,7-11H2,1H3,(H,30,32)(H,31,35);2-4,6,8-9,24H,1,5,7H2,(H,21,22)(H,23,25);1-5,26H,6H2,(H,23,24)(H,25,27).

What are the key properties of N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?

N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide has a molecular weight of 1498.68 g/mol, XLogP of 12.01, 20 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 160574507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).