(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol

C149H184Cl3F20N15O32S4 — CID 160608541

About (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol

(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol (PubChem CID 160608541) has the molecular formula C149H184Cl3F20N15O32S4 and a molecular weight of 3311.77 g/mol. Its IUPAC name is (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol.

Molecular Properties

• Compound Name: (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol
• PubChem CID: 160608541
• Molecular Formula: C149H184Cl3F20N15O32S4
• Molecular Weight: 3311.77 g/mol
• Exact Mass: 3308.09
• IUPAC Name: (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol
• SMILES: CC(O)C(F)(F)F.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)N(C)C[C@@]3(C)N)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)N(C)C[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(Cl)n2)N(C(=O)OC(C)(C)C)C[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(Cl)n2)N(C)C[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(Cl)n2)NC[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCO
• InChI: InChI=1S/C33H39F4N3O6S.C31H41ClF3N3O8S.C29H31F4N3O5.C27H35ClF3N3O6S.C26H33ClF3N3O6S.C3H5F3O/c1-30(2,3)47(44)39-31(4)19-40(5)29-23(31)18-27(38-28(29)20-7-10-22(34)11-8-20)32(43,33(35,36)37)14-13-24(42)21-9-12-25(46-16-15-41)26(17-21)45-6;1-27(2,3)46-26(41)38-17-29(7,37-47(43)28(4,5)6)19-16-23(36-25(32)24(19)38)30(42,31(33,34)35)12-11-20(40)18-9-10-21(45-14-13-39)22(15-18)44-8;1-27(34)16-36(2)26-20(27)15-24(35-25(26)17-4-7-19(30)8-5-17)28(39,29(31,32)33)11-10-21(38)18-6-9-22(41-13-12-37)23(14-18)40-3;1-24(2,3)41(38)33-25(4)15-34(5)22-17(25)14-21(32-23(22)28)26(37,27(29,30)31)10-9-18(36)16-7-8-19(40-12-11-35)20(13-16)39-6;1-23(2,3)40(37)33-24(4)14-31-21-16(24)13-20(32-22(21)27)25(36,26(28,29)30)9-8-17(35)15-6-7-18(39-11-10-34)19(12-15)38-5;1-2(7)3(4,5)6/h7-12,17-18,39,41,43H,13-16,19H2,1-6H3;9-10,15-16,37,39,42H,11-14,17H2,1-8H3;4-9,14-15,37,39H,10-13,16,34H2,1-3H3;7-8,13-14,33,35,37H,9-12,15H2,1-6H3;6-7,12-13,31,33-34,36H,8-11,14H2,1-5H3;2,7H,1H3/t31-,32-,47?;29-,30-,47?;27-,28-;25-,26-,41?;24-,25-,40?;/m11111./s1
• InChIKey: RFEVWYFDMYUMSO-MRYGPETQSA-N
• XLogP: 24.65
• TPSA: 658.34 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 42
• Rotatable Bonds: 55
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3311.77
LogP ≤ 5	24.65
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol?

The IUPAC name of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol (CID 160608541) is (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol.

What is the SMILES notation for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol?

The canonical SMILES for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol is CC(O)C(F)(F)F.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)N(C)C[C@@]3(C)N)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)N(C)C[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(Cl)n2)N(C(=O)OC(C)(C)C)C[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(Cl)n2)N(C)C[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(Cl)n2)NC[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCO.

What is the InChIKey of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol?

The InChIKey is RFEVWYFDMYUMSO-MRYGPETQSA-N. The full InChI is InChI=1S/C33H39F4N3O6S.C31H41ClF3N3O8S.C29H31F4N3O5.C27H35ClF3N3O6S.C26H33ClF3N3O6S.C3H5F3O/c1-30(2,3)47(44)39-31(4)19-40(5)29-23(31)18-27(38-28(29)20-7-10-22(34)11-8-20)32(43,33(35,36)37)14-13-24(42)21-9-12-25(46-16-15-41)26(17-21)45-6;1-27(2,3)46-26(41)38-17-29(7,37-47(43)28(4,5)6)19-16-23(36-25(32)24(19)38)30(42,31(33,34)35)12-11-20(40)18-9-10-21(45-14-13-39)22(15-18)44-8;1-27(34)16-36(2)26-20(27)15-24(35-25(26)17-4-7-19(30)8-5-17)28(39,29(31,32)33)11-10-21(38)18-6-9-22(41-13-12-37)23(14-18)40-3;1-24(2,3)41(38)33-25(4)15-34(5)22-17(25)14-21(32-23(22)28)26(37,27(29,30)31)10-9-18(36)16-7-8-19(40-12-11-35)20(13-16)39-6;1-23(2,3)40(37)33-24(4)14-31-21-16(24)13-20(32-22(21)27)25(36,26(28,29)30)9-8-17(35)15-6-7-18(39-11-10-34)19(12-15)38-5;1-2(7)3(4,5)6/h7-12,17-18,39,41,43H,13-16,19H2,1-6H3;9-10,15-16,37,39,42H,11-14,17H2,1-8H3;4-9,14-15,37,39H,10-13,16,34H2,1-3H3;7-8,13-14,33,35,37H,9-12,15H2,1-6H3;6-7,12-13,31,33-34,36H,8-11,14H2,1-5H3;2,7H,1H3/t31-,32-,47?;29-,30-,47?;27-,28-;25-,26-,41?;24-,25-,40?;/m11111./s1.

What are the key properties of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol?

(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol has a molecular weight of 3311.77 g/mol, XLogP of 24.65, 55 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;N-[(3S)-7-chloro-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-1,2-dihydropyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-1,3-dimethyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 160608541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).