ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate

C100H96ClF18N9O14 — CID 159457631

About ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate

ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate (PubChem CID 159457631) has the molecular formula C100H96ClF18N9O14 and a molecular weight of 2025.33 g/mol. Its IUPAC name is ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate
• PubChem CID: 159457631
• Molecular Formula: C100H96ClF18N9O14
• Molecular Weight: 2025.33 g/mol
• Exact Mass: 2023.65
• IUPAC Name: ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate
• SMILES: CCOC(=O)CC1CCc2cc(OC)c(-c3ccc(N4CCC4)nc3CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)cc21.CCOC(=O)[C@H]1C[C@@H]1c1ccc(OC)c(-c2ccc(N3CCC3)nc2CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c1.COC(=O)CCc1ccc(Cl)c(-c2ccc(N3CCC3)nc2CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c1
• InChI: InChI=1S/C35H35F6N3O5.C34H33F6N3O5.C31H28ClF6N3O4/c1-4-48-31(45)15-21-7-6-20-14-29(47-3)27(17-26(20)21)25-8-9-30(43-10-5-11-43)42-28(25)18-44-19(2)32(49-33(44)46)22-12-23(34(36,37)38)16-24(13-22)35(39,40)41;1-4-47-31(44)26-16-24(26)19-6-8-28(46-3)25(14-19)23-7-9-29(42-10-5-11-42)41-27(23)17-43-18(2)30(48-32(43)45)20-12-21(33(35,36)37)15-22(13-20)34(38,39)40;1-17-28(19-13-20(30(33,34)35)15-21(14-19)31(36,37)38)45-29(43)41(17)16-25-22(6-8-26(39-25)40-10-3-11-40)23-12-18(4-7-24(23)32)5-9-27(42)44-2/h8-9,12-14,16-17,19,21,32H,4-7,10-11,15,18H2,1-3H3;6-9,12-15,18,24,26,30H,4-5,10-11,16-17H2,1-3H3;4,6-8,12-15,17,28H,3,5,9-11,16H2,1-2H3/t19-,21?,32-;18-,24+,26-,30-;17-,28-/m000/s1
• InChIKey: LUELQSWQSQOSHY-NDCFDLCLSA-N
• XLogP: 23.66
• TPSA: 234.37 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2025.33
LogP ≤ 5	23.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate?

The IUPAC name of ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate (CID 159457631) is ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate.

What is the SMILES notation for ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate?

The canonical SMILES for ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate is CCOC(=O)CC1CCc2cc(OC)c(-c3ccc(N4CCC4)nc3CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)cc21.CCOC(=O)[C@H]1C[C@@H]1c1ccc(OC)c(-c2ccc(N3CCC3)nc2CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c1.COC(=O)CCc1ccc(Cl)c(-c2ccc(N3CCC3)nc2CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c1.

What is the InChIKey of ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate?

The InChIKey is LUELQSWQSQOSHY-NDCFDLCLSA-N. The full InChI is InChI=1S/C35H35F6N3O5.C34H33F6N3O5.C31H28ClF6N3O4/c1-4-48-31(45)15-21-7-6-20-14-29(47-3)27(17-26(20)21)25-8-9-30(43-10-5-11-43)42-28(25)18-44-19(2)32(49-33(44)46)22-12-23(34(36,37)38)16-24(13-22)35(39,40)41;1-4-47-31(44)26-16-24(26)19-6-8-28(46-3)25(14-19)23-7-9-29(42-10-5-11-42)41-27(23)17-43-18(2)30(48-32(43)45)20-12-21(33(35,36)37)15-22(13-20)34(38,39)40;1-17-28(19-13-20(30(33,34)35)15-21(14-19)31(36,37)38)45-29(43)41(17)16-25-22(6-8-26(39-25)40-10-3-11-40)23-12-18(4-7-24(23)32)5-9-27(42)44-2/h8-9,12-14,16-17,19,21,32H,4-7,10-11,15,18H2,1-3H3;6-9,12-15,18,24,26,30H,4-5,10-11,16-17H2,1-3H3;4,6-8,12-15,17,28H,3,5,9-11,16H2,1-2H3/t19-,21?,32-;18-,24+,26-,30-;17-,28-/m000/s1.

What are the key properties of ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate?

ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate has a molecular weight of 2025.33 g/mol, XLogP of 23.66, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 159457631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).