3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid

C120H136F12N20O20S4 — CID 167697929

About 3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid

3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid (PubChem CID 167697929) has the molecular formula C120H136F12N20O20S4 and a molecular weight of 2534.77 g/mol. Its IUPAC name is 3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

• Compound Name: 3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid
• PubChem CID: 167697929
• Molecular Formula: C120H136F12N20O20S4
• Molecular Weight: 2534.77 g/mol
• Exact Mass: 2532.89
• IUPAC Name: 3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid
• SMILES: CCOC(=O)C1=C(CN2CC(F)(F)C3CC(=O)N(CC(C)(C)C(=O)O)CC32)NC(c2nccs2)=NC1c1cccc(F)c1C.CCOC(=O)C1=C(CN2CC(F)(F)C3CCN(C(=O)C(C)(C)C(=O)O)CC32)NC(c2nccs2)=NC1c1cccc(F)c1C.CCOC(=O)C1=C(CN2CC(F)(F)C3CCN(CC(C)(C)C(=O)O)C(=O)C32)NC(c2nccs2)=NC1c1cccc(F)c1C.CCOC(=O)C1=C(CN2CC(F)(F)C3CN(C(=O)C(C)(C)C(=O)O)CCC32)NC(c2nccs2)=NC1c1cccc(F)c1C
• InChI: InChI=1S/4C30H34F3N5O5S/c1-5-43-26(39)22-20(35-24(25-34-10-12-44-25)36-23(22)17-7-6-8-19(31)16(17)2)14-38-15-30(32,33)18-13-37(11-9-21(18)38)27(40)29(3,4)28(41)42;1-5-43-27(40)21-20(35-24(25-34-10-12-44-25)36-22(21)17-7-6-8-19(31)16(17)2)13-38-15-30(32,33)18-9-11-37(26(39)23(18)38)14-29(3,4)28(41)42;1-5-43-26(39)22-20(35-24(25-34-10-12-44-25)36-23(22)17-7-6-8-19(31)16(17)2)13-38-15-30(32,33)18-9-11-37(14-21(18)38)27(40)29(3,4)28(41)42;1-5-43-27(40)23-20(35-25(26-34-9-10-44-26)36-24(23)17-7-6-8-19(31)16(17)2)12-37-15-30(32,33)18-11-22(39)38(13-21(18)37)14-29(3,4)28(41)42/h6-8,10,12,18,21,23H,5,9,11,13-15H2,1-4H3,(H,35,36)(H,41,42);6-8,10,12,18,22-23H,5,9,11,13-15H2,1-4H3,(H,35,36)(H,41,42);6-8,10,12,18,21,23H,5,9,11,13-15H2,1-4H3,(H,35,36)(H,41,42);6-10,18,21,24H,5,11-15H2,1-4H3,(H,35,36)(H,41,42)
• InChIKey: XYFDRHFOZLAILB-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 497.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 34
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2534.77
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid?

The IUPAC name of 3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid (CID 167697929) is 3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid.

What is the SMILES notation for 3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid?

The canonical SMILES for 3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid is CCOC(=O)C1=C(CN2CC(F)(F)C3CC(=O)N(CC(C)(C)C(=O)O)CC32)NC(c2nccs2)=NC1c1cccc(F)c1C.CCOC(=O)C1=C(CN2CC(F)(F)C3CCN(C(=O)C(C)(C)C(=O)O)CC32)NC(c2nccs2)=NC1c1cccc(F)c1C.CCOC(=O)C1=C(CN2CC(F)(F)C3CCN(CC(C)(C)C(=O)O)C(=O)C32)NC(c2nccs2)=NC1c1cccc(F)c1C.CCOC(=O)C1=C(CN2CC(F)(F)C3CN(C(=O)C(C)(C)C(=O)O)CCC32)NC(c2nccs2)=NC1c1cccc(F)c1C.

What is the InChIKey of 3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid?

The InChIKey is XYFDRHFOZLAILB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C30H34F3N5O5S/c1-5-43-26(39)22-20(35-24(25-34-10-12-44-25)36-23(22)17-7-6-8-19(31)16(17)2)14-38-15-30(32,33)18-13-37(11-9-21(18)38)27(40)29(3,4)28(41)42;1-5-43-27(40)21-20(35-24(25-34-10-12-44-25)36-22(21)17-7-6-8-19(31)16(17)2)13-38-15-30(32,33)18-9-11-37(26(39)23(18)38)14-29(3,4)28(41)42;1-5-43-26(39)22-20(35-24(25-34-10-12-44-25)36-23(22)17-7-6-8-19(31)16(17)2)13-38-15-30(32,33)18-9-11-37(14-21(18)38)27(40)29(3,4)28(41)42;1-5-43-27(40)23-20(35-25(26-34-9-10-44-26)36-24(23)17-7-6-8-19(31)16(17)2)12-37-15-30(32,33)18-11-22(39)38(13-21(18)37)14-29(3,4)28(41)42/h6-8,10,12,18,21,23H,5,9,11,13-15H2,1-4H3,(H,35,36)(H,41,42);6-8,10,12,18,22-23H,5,9,11,13-15H2,1-4H3,(H,35,36)(H,41,42);6-8,10,12,18,21,23H,5,9,11,13-15H2,1-4H3,(H,35,36)(H,41,42);6-10,18,21,24H,5,11-15H2,1-4H3,(H,35,36)(H,41,42).

What are the key properties of 3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid?

3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid has a molecular weight of 2534.77 g/mol, XLogP of 15.11, 34 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-2,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-2,2-dimethyl-3-oxopropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-5-oxo-3a,4,7,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid;3-[1-[[5-ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3,3-difluoro-7-oxo-3a,4,5,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 167697929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).