(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol

C177H211Cl2F14N19O41S3 — CID 159974588

About (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol

(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol (PubChem CID 159974588) has the molecular formula C177H211Cl2F14N19O41S3 and a molecular weight of 3693.81 g/mol. Its IUPAC name is (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol.

Molecular Properties

• Compound Name: (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol
• PubChem CID: 159974588
• Molecular Formula: C177H211Cl2F14N19O41S3
• Molecular Weight: 3693.81 g/mol
• Exact Mass: 3690.33
• IUPAC Name: (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol
• SMILES: CC(C)(C)OC(=O)N1C[C@@](C)(NS(=O)C(C)(C)C)c2cc([C@](O)(CN)C(F)(F)F)nc(Cl)c21.COC(=O)c1cc(OC)c(O)cn1.COC(=O)c1cc(OC)c(OCCOCc2ccccc2)cn1.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)N(C(=O)OC(C)(C)C)C[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ncc1OCCOCc1ccccc1.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)NC[C@@]3(C)N)C(F)(F)F)ncc1OCCO.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)ncc1OCCOCc1ccccc1.COc1cc(C(=O)O)ncc1OCCOCc1ccccc1.OCCOCc1ccccc1
• InChI: InChI=1S/C43H50F4N4O8S.C37H46ClF3N4O8S.C27H28F4N4O5.C20H30ClF3N4O4S.C17H19NO5.C16H17NO5.C9H12O2.C8H9NO4/c1-39(2,3)59-38(53)51-26-41(7,50-60(55)40(4,5)6)30-22-35(49-36(37(30)51)28-14-16-29(44)17-15-28)42(54,43(45,46)47)19-18-32(52)31-23-33(56-8)34(24-48-31)58-21-20-57-25-27-12-10-9-11-13-27;1-33(2,3)53-32(47)45-22-35(7,44-54(49)34(4,5)6)24-18-29(43-31(38)30(24)45)36(48,37(39,40)41)15-14-26(46)25-19-27(50-8)28(20-42-25)52-17-16-51-21-23-12-10-9-11-13-23;1-25(32)14-34-24-17(25)11-22(35-23(24)15-3-5-16(28)6-4-15)26(38,27(29,30)31)8-7-19(37)18-12-20(39-2)21(13-33-18)40-10-9-36;1-16(2,3)32-15(29)28-10-18(7,27-33(31)17(4,5)6)11-8-12(26-14(21)13(11)28)19(30,9-25)20(22,23)24;1-20-15-10-14(17(19)21-2)18-11-16(15)23-9-8-22-12-13-6-4-3-5-7-13;1-20-14-9-13(16(18)19)17-10-15(14)22-8-7-21-11-12-5-3-2-4-6-12;10-6-7-11-8-9-4-2-1-3-5-9;1-12-7-3-5(8(11)13-2)9-4-6(7)10/h9-17,22-24,50,54H,18-21,25-26H2,1-8H3;9-13,18-20,44,48H,14-17,21-22H2,1-8H3;3-6,11-13,34,36,38H,7-10,14,32H2,1-2H3;8,27,30H,9-10,25H2,1-7H3;3-7,10-11H,8-9,12H2,1-2H3;2-6,9-10H,7-8,11H2,1H3,(H,18,19);1-5,10H,6-8H2;3-4,10H,1-2H3/t41-,42-,60?;35-,36-,54?;25-,26-;18-,19-,33?;;;;/m1111..../s1
• InChIKey: OEZFSBLEDQTTNR-HZPFITQNSA-N
• XLogP: 29.27
• TPSA: 799.29 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 53
• Rotatable Bonds: 65
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3693.81
LogP ≤ 5	29.27
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol?

The IUPAC name of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol (CID 159974588) is (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol.

What is the SMILES notation for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol?

The canonical SMILES for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol is CC(C)(C)OC(=O)N1C[C@@](C)(NS(=O)C(C)(C)C)c2cc([C@](O)(CN)C(F)(F)F)nc(Cl)c21.COC(=O)c1cc(OC)c(O)cn1.COC(=O)c1cc(OC)c(OCCOCc2ccccc2)cn1.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)N(C(=O)OC(C)(C)C)C[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ncc1OCCOCc1ccccc1.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)NC[C@@]3(C)N)C(F)(F)F)ncc1OCCO.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)ncc1OCCOCc1ccccc1.COc1cc(C(=O)O)ncc1OCCOCc1ccccc1.OCCOCc1ccccc1.

What is the InChIKey of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol?

The InChIKey is OEZFSBLEDQTTNR-HZPFITQNSA-N. The full InChI is InChI=1S/C43H50F4N4O8S.C37H46ClF3N4O8S.C27H28F4N4O5.C20H30ClF3N4O4S.C17H19NO5.C16H17NO5.C9H12O2.C8H9NO4/c1-39(2,3)59-38(53)51-26-41(7,50-60(55)40(4,5)6)30-22-35(49-36(37(30)51)28-14-16-29(44)17-15-28)42(54,43(45,46)47)19-18-32(52)31-23-33(56-8)34(24-48-31)58-21-20-57-25-27-12-10-9-11-13-27;1-33(2,3)53-32(47)45-22-35(7,44-54(49)34(4,5)6)24-18-29(43-31(38)30(24)45)36(48,37(39,40)41)15-14-26(46)25-19-27(50-8)28(20-42-25)52-17-16-51-21-23-12-10-9-11-13-23;1-25(32)14-34-24-17(25)11-22(35-23(24)15-3-5-16(28)6-4-15)26(38,27(29,30)31)8-7-19(37)18-12-20(39-2)21(13-33-18)40-10-9-36;1-16(2,3)32-15(29)28-10-18(7,27-33(31)17(4,5)6)11-8-12(26-14(21)13(11)28)19(30,9-25)20(22,23)24;1-20-15-10-14(17(19)21-2)18-11-16(15)23-9-8-22-12-13-6-4-3-5-7-13;1-20-14-9-13(16(18)19)17-10-15(14)22-8-7-21-11-12-5-3-2-4-6-12;10-6-7-11-8-9-4-2-1-3-5-9;1-12-7-3-5(8(11)13-2)9-4-6(7)10/h9-17,22-24,50,54H,18-21,25-26H2,1-8H3;9-13,18-20,44,48H,14-17,21-22H2,1-8H3;3-6,11-13,34,36,38H,7-10,14,32H2,1-2H3;8,27,30H,9-10,25H2,1-7H3;3-7,10-11H,8-9,12H2,1-2H3;2-6,9-10H,7-8,11H2,1H3,(H,18,19);1-5,10H,6-8H2;3-4,10H,1-2H3/t41-,42-,60?;35-,36-,54?;25-,26-;18-,19-,33?;;;;/m1111..../s1.

What are the key properties of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol?

(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol has a molecular weight of 3693.81 g/mol, XLogP of 29.27, 65 rotatable bonds, 14 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-methoxy-5-(2-phenylmethoxyethoxy)-2-pyridinyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate;methyl 4-methoxy-5-(2-phenylmethoxyethoxy)pyridine-2-carboxylate;2-phenylmethoxyethanol is sourced from PubChem (CID 159974588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).