N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide

C114H81F28N25O16S5 — CID 167616309

About N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide

N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 167616309) has the molecular formula C114H81F28N25O16S5 and a molecular weight of 2749.34 g/mol. Its IUPAC name is N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide
• PubChem CID: 167616309
• Molecular Formula: C114H81F28N25O16S5
• Molecular Weight: 2749.34 g/mol
• Exact Mass: 2747.44
• IUPAC Name: N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide
• SMILES: CS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C5CC5)nc4)cc23)c1F.Cc1ncc(-c2cnc3[nH]cc(C(=O)c4ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c4F)c3c2)cn1.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3ccc(C(F)(F)F)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(C(F)(F)F)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(N4CCOCC4)nc3)cc12
• InChI: InChI=1S/C25H21F5N6O4S.C23H14F8N4O3S.C22H13F8N5O3S.C22H16F5N5O3S.C22H17F2N5O3S/c26-19-2-1-16(20(27)21(19)35-41(38,39)8-3-25(28,29)30)22(37)18-13-32-23-17(18)9-14(10-31-23)15-11-33-24(34-12-15)36-4-6-40-7-5-36;24-16-3-2-13(18(25)19(16)35-39(37,38)6-5-22(26,27)28)20(36)15-10-34-21-14(15)7-12(9-33-21)11-1-4-17(32-8-11)23(29,30)31;23-15-2-1-12(16(24)17(15)35-39(37,38)4-3-21(25,26)27)18(36)14-9-32-19-13(14)5-10(6-31-19)11-7-33-20(34-8-11)22(28,29)30;1-11-28-8-13(9-29-11)12-6-15-16(10-31-21(15)30-7-12)20(33)14-2-3-17(23)19(18(14)24)32-36(34,35)5-4-22(25,26)27;1-33(31,32)29-19-17(23)5-4-14(18(19)24)20(30)16-10-28-22-15(16)6-12(7-27-22)13-8-25-21(26-9-13)11-2-3-11/h1-2,9-13,35H,3-8H2,(H,31,32);1-4,7-10,35H,5-6H2,(H,33,34);1-2,5-9,35H,3-4H2,(H,31,32);2-3,6-10,32H,4-5H2,1H3,(H,30,31);4-11,29H,2-3H2,1H3,(H,27,28)
• InChIKey: LUDOONHUOHOHBX-UHFFFAOYSA-N
• XLogP: 23.46
• TPSA: 588.08 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2749.34
LogP ≤ 5	23.46
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide?

The IUPAC name of N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide (CID 167616309) is N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide.

What is the SMILES notation for N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide?

The canonical SMILES for N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide is CS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C5CC5)nc4)cc23)c1F.Cc1ncc(-c2cnc3[nH]cc(C(=O)c4ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c4F)c3c2)cn1.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3ccc(C(F)(F)F)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(C(F)(F)F)nc3)cc12.O=C(c1ccc(F)c(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3cnc(N4CCOCC4)nc3)cc12.

What is the InChIKey of N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide?

The InChIKey is LUDOONHUOHOHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F5N6O4S.C23H14F8N4O3S.C22H13F8N5O3S.C22H16F5N5O3S.C22H17F2N5O3S/c26-19-2-1-16(20(27)21(19)35-41(38,39)8-3-25(28,29)30)22(37)18-13-32-23-17(18)9-14(10-31-23)15-11-33-24(34-12-15)36-4-6-40-7-5-36;24-16-3-2-13(18(25)19(16)35-39(37,38)6-5-22(26,27)28)20(36)15-10-34-21-14(15)7-12(9-33-21)11-1-4-17(32-8-11)23(29,30)31;23-15-2-1-12(16(24)17(15)35-39(37,38)4-3-21(25,26)27)18(36)14-9-32-19-13(14)5-10(6-31-19)11-7-33-20(34-8-11)22(28,29)30;1-11-28-8-13(9-29-11)12-6-15-16(10-31-21(15)30-7-12)20(33)14-2-3-17(23)19(18(14)24)32-36(34,35)5-4-22(25,26)27;1-33(31,32)29-19-17(23)5-4-14(18(19)24)20(30)16-10-28-22-15(16)6-12(7-27-22)13-8-25-21(26-9-13)11-2-3-11/h1-2,9-13,35H,3-8H2,(H,31,32);1-4,7-10,35H,5-6H2,(H,33,34);1-2,5-9,35H,3-4H2,(H,31,32);2-3,6-10,32H,4-5H2,1H3,(H,30,31);4-11,29H,2-3H2,1H3,(H,27,28).

What are the key properties of N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide?

N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 2749.34 g/mol, XLogP of 23.46, 35 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide;N-[2,6-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 167616309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).