4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C128H118Cl3F21N29O15S6+ — CID 157194202

IUPAC4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCCC2)nc1)C(F)(F)F.CC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(OC)cnc3n2C2CCC2)nc1)C(F)(F)F.COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)c[n+]1O)n2C1CCC1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2C2CCCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ncc(Cl)cc3n2C2CCC2)cc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ncc(Cl)cc3n2C2CCC2)nc1)C(F)(F)F
InChIInChI=1S/C22H21ClF3N5O2S.C22H19F6N5O2S.C22H22F3N5O3S.C21H18ClF3N4O2S.C21H21F3N5O4S.C20H17ClF3N5O2S/c1-2-19(22(24,25)26)30-34(32,33)15-7-8-18(28-12-15)20-17(10-27)16-9-13(23)11-29-21(16)31(20)14-5-3-4-6-14;1-12(21(23,24)25)32-36(34,35)15-6-7-18(30-11-15)19-17(9-29)16-8-13(22(26,27)28)10-31-20(16)33(19)14-4-2-3-5-14;1-3-19(22(23,24)25)29-34(31,32)15-7-8-18(27-12-15)20-17(10-26)16-9-14(33-2)11-28-21(16)30(20)13-5-4-6-13;1-12(21(23,24)25)28-32(30,31)16-7-5-13(6-8-16)20-17(10-26)19-18(9-14(22)11-27-19)29(20)15-3-2-4-15;1-12(21(22,23)24)27-34(31,32)15-6-7-18(28(30)11-15)19-17(9-25)16-8-14(33-2)10-26-20(16)29(19)13-4-3-5-13;1-11(20(22,23)24)28-32(30,31)14-5-6-16(26-10-14)19-15(8-25)18-17(7-12(21)9-27-18)29(19)13-3-2-4-13/h7-9,11-12,14,19,30H,2-6H2,1H3;6-8,10-12,14,32H,2-5H2,1H3;7-9,11-13,19,29H,3-6H2,1-2H3;5-9,11-12,15,28H,2-4H2,1H3;6-8,10-13,27,30H,3-5H2,1-2H3;5-7,9-11,13,28H,2-4H2,1H3/q;;;;+1;/t19-;12-;19-;2*12-;11-/m010000/s1
InChIKeyAQAYLWIZYJZFKR-ZAUIXFIASA-N
MW3000.26 g/mol
LogP27.84
Rot. Bonds34

About 4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 157194202) has the molecular formula C128H118Cl3F21N29O15S6+ and a molecular weight of 3000.26 g/mol. Its IUPAC name is 4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID157194202
Molecular FormulaC128H118Cl3F21N29O15S6+
Molecular Weight3000.26 g/mol
Exact Mass2996.64
IUPAC Name4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCCC2)nc1)C(F)(F)F.CC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(OC)cnc3n2C2CCC2)nc1)C(F)(F)F.COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)c[n+]1O)n2C1CCC1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2C2CCCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ncc(Cl)cc3n2C2CCC2)cc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ncc(Cl)cc3n2C2CCC2)nc1)C(F)(F)F
InChIInChI=1S/C22H21ClF3N5O2S.C22H19F6N5O2S.C22H22F3N5O3S.C21H18ClF3N4O2S.C21H21F3N5O4S.C20H17ClF3N5O2S/c1-2-19(22(24,25)26)30-34(32,33)15-7-8-18(28-12-15)20-17(10-27)16-9-13(23)11-29-21(16)31(20)14-5-3-4-6-14;1-12(21(23,24)25)32-36(34,35)15-6-7-18(30-11-15)19-17(9-29)16-8-13(22(26,27)28)10-31-20(16)33(19)14-4-2-3-5-14;1-3-19(22(23,24)25)29-34(31,32)15-7-8-18(27-12-15)20-17(10-26)16-9-14(33-2)11-28-21(16)30(20)13-5-4-6-13;1-12(21(23,24)25)28-32(30,31)16-7-5-13(6-8-16)20-17(10-26)19-18(9-14(22)11-27-19)29(20)15-3-2-4-15;1-12(21(22,23)24)27-34(31,32)15-6-7-18(28(30)11-15)19-17(9-25)16-8-14(33-2)10-26-20(16)29(19)13-4-3-5-13;1-11(20(22,23)24)28-32(30,31)14-5-6-16(26-10-14)19-15(8-25)18-17(7-12(21)9-27-18)29(19)13-3-2-4-13/h7-9,11-12,14,19,30H,2-6H2,1H3;6-8,10-12,14,32H,2-5H2,1H3;7-9,11-13,19,29H,3-6H2,1-2H3;5-9,11-12,15,28H,2-4H2,1H3;6-8,10-13,27,30H,3-5H2,1-2H3;5-7,9-11,13,28H,2-4H2,1H3/q;;;;+1;/t19-;12-;19-;2*12-;11-/m010000/s1
InChIKeyAQAYLWIZYJZFKR-ZAUIXFIASA-N
XLogP27.84
TPSA620.81 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds34
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003000.26
LogP ≤ 527.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 157194202) is 4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCCC2)nc1)C(F)(F)F.CC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(OC)cnc3n2C2CCC2)nc1)C(F)(F)F.COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)c[n+]1O)n2C1CCC1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2C2CCCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ncc(Cl)cc3n2C2CCC2)cc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ncc(Cl)cc3n2C2CCC2)nc1)C(F)(F)F.
What is the InChIKey of 4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is AQAYLWIZYJZFKR-ZAUIXFIASA-N. The full InChI is InChI=1S/C22H21ClF3N5O2S.C22H19F6N5O2S.C22H22F3N5O3S.C21H18ClF3N4O2S.C21H21F3N5O4S.C20H17ClF3N5O2S/c1-2-19(22(24,25)26)30-34(32,33)15-7-8-18(28-12-15)20-17(10-27)16-9-13(23)11-29-21(16)31(20)14-5-3-4-6-14;1-12(21(23,24)25)32-36(34,35)15-6-7-18(30-11-15)19-17(9-29)16-8-13(22(26,27)28)10-31-20(16)33(19)14-4-2-3-5-14;1-3-19(22(23,24)25)29-34(31,32)15-7-8-18(27-12-15)20-17(10-26)16-9-14(33-2)11-28-21(16)30(20)13-5-4-6-13;1-12(21(23,24)25)28-32(30,31)16-7-5-13(6-8-16)20-17(10-26)19-18(9-14(22)11-27-19)29(20)15-3-2-4-15;1-12(21(22,23)24)27-34(31,32)15-6-7-18(28(30)11-15)19-17(9-25)16-8-14(33-2)10-26-20(16)29(19)13-4-3-5-13;1-11(20(22,23)24)28-32(30,31)14-5-6-16(26-10-14)19-15(8-25)18-17(7-12(21)9-27-18)29(19)13-3-2-4-13/h7-9,11-12,14,19,30H,2-6H2,1H3;6-8,10-12,14,32H,2-5H2,1H3;7-9,11-13,19,29H,3-6H2,1-2H3;5-9,11-12,15,28H,2-4H2,1H3;6-8,10-13,27,30H,3-5H2,1-2H3;5-7,9-11,13,28H,2-4H2,1H3/q;;;;+1;/t19-;12-;19-;2*12-;11-/m010000/s1.
What are the key properties of 4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 3000.26 g/mol, XLogP of 27.84, 34 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 157194202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).