N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C66H58ClF6N15O9S3 — CID 160889054

About N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 160889054) has the molecular formula C66H58ClF6N15O9S3 and a molecular weight of 1450.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
• PubChem CID: 160889054
• Molecular Formula: C66H58ClF6N15O9S3
• Molecular Weight: 1450.93 g/mol
• Exact Mass: 1449.33
• IUPAC Name: N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(Cl)cc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4cccnc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4cncn4C)cc3c2)c1F
• InChI: InChI=1S/C23H19ClF2N4O3S.C22H19F2N5O3S.C21H20F2N6O3S/c1-2-9-34(32,33)30-18-8-7-17(25)20(21(18)26)23(31)28-16-10-14-11-19(29-22(14)27-12-16)13-3-5-15(24)6-4-13;1-2-8-33(31,32)29-17-6-5-16(23)19(20(17)24)22(30)27-15-9-14-10-18(28-21(14)26-12-15)13-4-3-7-25-11-13;1-3-6-33(31,32)28-15-5-4-14(22)18(19(15)23)21(30)26-13-7-12-8-16(27-20(12)25-9-13)17-10-24-11-29(17)2/h3-8,10-12,30H,2,9H2,1H3,(H,27,29)(H,28,31);3-7,9-12,29H,2,8H2,1H3,(H,26,28)(H,27,30);4-5,7-11,28H,3,6H2,1-2H3,(H,25,27)(H,26,30)
• InChIKey: SOADXJVDXCAAMG-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 342.56 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1450.93
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?

The IUPAC name of N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 160889054) is N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

What is the SMILES notation for N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?

The canonical SMILES for N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(Cl)cc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4cccnc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4cncn4C)cc3c2)c1F.

What is the InChIKey of N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?

The InChIKey is SOADXJVDXCAAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N4O3S.C22H19F2N5O3S.C21H20F2N6O3S/c1-2-9-34(32,33)30-18-8-7-17(25)20(21(18)26)23(31)28-16-10-14-11-19(29-22(14)27-12-16)13-3-5-15(24)6-4-13;1-2-8-33(31,32)29-17-6-5-16(23)19(20(17)24)22(30)27-15-9-14-10-18(28-21(14)26-12-15)13-4-3-7-25-11-13;1-3-6-33(31,32)28-15-5-4-14(22)18(19(15)23)21(30)26-13-7-12-8-16(27-20(12)25-9-13)17-10-24-11-29(17)2/h3-8,10-12,30H,2,9H2,1H3,(H,27,29)(H,28,31);3-7,9-12,29H,2,8H2,1H3,(H,26,28)(H,27,30);4-5,7-11,28H,3,6H2,1-2H3,(H,25,27)(H,26,30).

What are the key properties of N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?

N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 1450.93 g/mol, XLogP of 13.52, 21 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 160889054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).