2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
C121H107Cl4F17N32O13S6 — CID 158955518
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1)C(F)(F)F.CC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2CC2CC2)nc1)C(F)(F)F.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)cnc3n2CC2CC2)nc1)C(F)(F)F.N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCC2)c2ncc(Cl)cc12.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2nc(OC(F)F)ccc12
InChIInChI=1S/C21H17ClF3N5O2S.C21H19ClF3N5O2S.C20H17ClF3N5O2S.C20H18F4N6O3S.C20H17F4N5O2S.C19H19ClN6O2S/c22-12-8-15-16(9-26)18(30(13-2-1-3-13)19(15)28-10-12)17-5-4-14(11-27-17)33(31,32)29-20(6-7-20)21(23,24)25;1-20(2,21(23,24)25)29-33(31,32)14-6-7-17(27-11-14)18-16(9-26)15-8-12(22)10-28-19(15)30(18)13-4-3-5-13;1-11(20(22,23)24)28-32(30,31)14-4-5-17(26-9-14)18-16(7-25)15-6-13(21)8-27-19(15)29(18)10-12-2-3-12;21-6-11(7-22)29-34(31,32)13-9-26-18(27-10-13)17-15(8-25)14-4-5-16(33-20(23)24)28-19(14)30(17)12-2-1-3-12;1-11(20(22,23)24)28-32(30,31)14-4-5-17(26-9-14)18-16(7-25)15-6-13(21)8-27-19(15)29(18)10-12-2-3-12;1-11(2)25-29(27,28)14-9-22-18(23-10-14)17-16(7-21)15-6-12(20)8-24-19(15)26(17)13-4-3-5-13/h4-5,8,10-11,13,29H,1-3,6-7H2;6-8,10-11,13,29H,3-5H2,1-2H3;4-6,8-9,11-12,28H,2-3,10H2,1H3;4-5,9-12,20,29H,1-3,6-7H2;4-6,8-9,11-12,28H,2-3,10H2,1H3;6,8-11,13,25H,3-5H2,1-2H3/t;;11-;;11-;/m..1.1./s1
InChIKeyJLYKYGPMBFCTIZ-LRCCJLJZSA-N
MW2874.58 g/mol
LogP24.41
Rot. Bonds36
About 2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 158955518) has the molecular formula C121H107Cl4F17N32O13S6 and a molecular weight of 2874.58 g/mol. Its IUPAC name is 2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
Molecular Properties
| Compound Name | 2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide |
|---|---|
| PubChem CID | 158955518 |
| Molecular Formula | C121H107Cl4F17N32O13S6 |
| Molecular Weight | 2874.58 g/mol |
| Exact Mass | 2870.55 |
| IUPAC Name | 2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide |
| SMILES | CC(C)(NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1)C(F)(F)F.CC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2CC2CC2)nc1)C(F)(F)F.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)cnc3n2CC2CC2)nc1)C(F)(F)F.N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCC2)c2ncc(Cl)cc12.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2nc(OC(F)F)ccc12 |
| InChI | InChI=1S/C21H17ClF3N5O2S.C21H19ClF3N5O2S.C20H17ClF3N5O2S.C20H18F4N6O3S.C20H17F4N5O2S.C19H19ClN6O2S/c22-12-8-15-16(9-26)18(30(13-2-1-3-13)19(15)28-10-12)17-5-4-14(11-27-17)33(31,32)29-20(6-7-20)21(23,24)25;1-20(2,21(23,24)25)29-33(31,32)14-6-7-17(27-11-14)18-16(9-26)15-8-12(22)10-28-19(15)30(18)13-4-3-5-13;1-11(20(22,23)24)28-32(30,31)14-4-5-17(26-9-14)18-16(7-25)15-6-13(21)8-27-19(15)29(18)10-12-2-3-12;21-6-11(7-22)29-34(31,32)13-9-26-18(27-10-13)17-15(8-25)14-4-5-16(33-20(23)24)28-19(14)30(17)12-2-1-3-12;1-11(20(22,23)24)28-32(30,31)14-4-5-17(26-9-14)18-16(7-25)15-6-13(21)8-27-19(15)29(18)10-12-2-3-12;1-11(2)25-29(27,28)14-9-22-18(23-10-14)17-16(7-21)15-6-12(20)8-24-19(15)26(17)13-4-3-5-13/h4-5,8,10-11,13,29H,1-3,6-7H2;6-8,10-11,13,29H,3-5H2,1-2H3;4-6,8-9,11-12,28H,2-3,10H2,1H3;4-5,9-12,20,29H,1-3,6-7H2;4-6,8-9,11-12,28H,2-3,10H2,1H3;6,8-11,13,25H,3-5H2,1-2H3/t;;11-;;11-;/m..1.1./s1 |
| InChIKey | JLYKYGPMBFCTIZ-LRCCJLJZSA-N |
| XLogP | 24.41 |
| TPSA | 639.03 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 193 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2874.58 |
| LogP ≤ 5 | 24.41 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 39 |
Frequently Asked Questions
What is the IUPAC name of 2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 158955518) is 2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CC(C)(NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1)C(F)(F)F.CC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2CC2CC2)nc1)C(F)(F)F.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)cnc3n2CC2CC2)nc1)C(F)(F)F.N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCC2)c2ncc(Cl)cc12.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2nc(OC(F)F)ccc12.
What is the InChIKey of 2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is JLYKYGPMBFCTIZ-LRCCJLJZSA-N. The full InChI is InChI=1S/C21H17ClF3N5O2S.C21H19ClF3N5O2S.C20H17ClF3N5O2S.C20H18F4N6O3S.C20H17F4N5O2S.C19H19ClN6O2S/c22-12-8-15-16(9-26)18(30(13-2-1-3-13)19(15)28-10-12)17-5-4-14(11-27-17)33(31,32)29-20(6-7-20)21(23,24)25;1-20(2,21(23,24)25)29-33(31,32)14-6-7-17(27-11-14)18-16(9-26)15-8-12(22)10-28-19(15)30(18)13-4-3-5-13;1-11(20(22,23)24)28-32(30,31)14-4-5-17(26-9-14)18-16(7-25)15-6-13(21)8-27-19(15)29(18)10-12-2-3-12;21-6-11(7-22)29-34(31,32)13-9-26-18(27-10-13)17-15(8-25)14-4-5-16(33-20(23)24)28-19(14)30(17)12-2-1-3-12;1-11(20(22,23)24)28-32(30,31)14-4-5-17(26-9-14)18-16(7-25)15-6-13(21)8-27-19(15)29(18)10-12-2-3-12;1-11(2)25-29(27,28)14-9-22-18(23-10-14)17-16(7-21)15-6-12(20)8-24-19(15)26(17)13-4-3-5-13/h4-5,8,10-11,13,29H,1-3,6-7H2;6-8,10-11,13,29H,3-5H2,1-2H3;4-6,8-9,11-12,28H,2-3,10H2,1H3;4-5,9-12,20,29H,1-3,6-7H2;4-6,8-9,11-12,28H,2-3,10H2,1H3;6,8-11,13,25H,3-5H2,1-2H3/t;;11-;;11-;/m..1.1./s1.
What are the key properties of 2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2874.58 g/mol, XLogP of 24.41, 36 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-[5-chloro-3-cyano-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 158955518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158955518 — identifiers, structure, computed properties (public domain)
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