lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate

C129H155Cl5F10LiN13O24 — CID 167606811

About lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate

lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate (PubChem CID 167606811) has the molecular formula C129H155Cl5F10LiN13O24 and a molecular weight of 2645.91 g/mol. Its IUPAC name is lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate
• PubChem CID: 167606811
• Molecular Formula: C129H155Cl5F10LiN13O24
• Molecular Weight: 2645.91 g/mol
• Exact Mass: 2641.98
• IUPAC Name: lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate
• SMILES: CCOC(=O)C1CC2(CCC(F)(F)CC2)CN1.CCOC(=O)C1CC2(CCC(F)(F)CC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.COC(=O)[C@@H](N)C[C@@H]1CCCCC1=O.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCC(F)(F)CC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.NC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCC(F)(F)CC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.O.O=C(O)C1=Cc2cccc(Cl)c2C1.O=C(O)C1CC2(CCC(F)(F)CC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.[Li+].[OH-]
• InChI: InChI=1S/C29H34ClF2N3O5.C28H33ClF2N4O4.C21H23ClF2N2O3.C19H19ClF2N2O3.C12H19F2NO2.C10H7ClO2.C10H17NO3.Li.2H2O/c1-40-27(39)21(13-17-5-2-3-8-23(17)36)34-25(37)22-15-28(9-11-29(31,32)12-10-28)16-35(22)26(38)20-14-18-6-4-7-19(30)24(18)33-20;29-18-6-3-5-17-13-20(33-23(17)18)26(39)35-15-27(8-10-28(30,31)11-9-27)14-21(35)25(38)34-19(24(32)37)12-16-4-1-2-7-22(16)36;1-2-29-19(28)16-11-20(6-8-21(23,24)9-7-20)12-26(16)18(27)15-10-13-4-3-5-14(22)17(13)25-15;20-12-3-1-2-11-8-13(23-15(11)12)16(25)24-10-18(9-14(24)17(26)27)4-6-19(21,22)7-5-18;1-2-17-10(16)9-7-11(8-15-9)3-5-12(13,14)6-4-11;11-9-3-1-2-6-4-7(10(12)13)5-8(6)9;1-14-10(13)8(11)6-7-4-2-3-5-9(7)12;;;/h4,6-7,14,17,21-22,33H,2-3,5,8-13,15-16H2,1H3,(H,34,37);3,5-6,13,16,19,21,33H,1-2,4,7-12,14-15H2,(H2,32,37)(H,34,38);3-5,10,16,25H,2,6-9,11-12H2,1H3;1-3,8,14,23H,4-7,9-10H2,(H,26,27);9,15H,2-8H2,1H3;1-4H,5H2,(H,12,13);7-8H,2-6,11H2,1H3;;2*1H2/q;;;;;;;+1;;/p-1/t17-,21-,22?;16-,19-,21?;;;;;7-,8-;;;/m00....0.../s1
• InChIKey: QPWHZIGPZYUFAP-UCWWDFJMSA-M
• XLogP: 19.61
• TPSA: 576.25 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2645.91
LogP ≤ 5	19.61
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate?

The IUPAC name of lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate (CID 167606811) is lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate.

What is the SMILES notation for lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate?

The canonical SMILES for lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate is CCOC(=O)C1CC2(CCC(F)(F)CC2)CN1.CCOC(=O)C1CC2(CCC(F)(F)CC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.COC(=O)[C@@H](N)C[C@@H]1CCCCC1=O.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCC(F)(F)CC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.NC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)C1CC2(CCC(F)(F)CC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.O.O=C(O)C1=Cc2cccc(Cl)c2C1.O=C(O)C1CC2(CCC(F)(F)CC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.[Li+].[OH-].

What is the InChIKey of lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate?

The InChIKey is QPWHZIGPZYUFAP-UCWWDFJMSA-M. The full InChI is InChI=1S/C29H34ClF2N3O5.C28H33ClF2N4O4.C21H23ClF2N2O3.C19H19ClF2N2O3.C12H19F2NO2.C10H7ClO2.C10H17NO3.Li.2H2O/c1-40-27(39)21(13-17-5-2-3-8-23(17)36)34-25(37)22-15-28(9-11-29(31,32)12-10-28)16-35(22)26(38)20-14-18-6-4-7-19(30)24(18)33-20;29-18-6-3-5-17-13-20(33-23(17)18)26(39)35-15-27(8-10-28(30,31)11-9-27)14-21(35)25(38)34-19(24(32)37)12-16-4-1-2-7-22(16)36;1-2-29-19(28)16-11-20(6-8-21(23,24)9-7-20)12-26(16)18(27)15-10-13-4-3-5-14(22)17(13)25-15;20-12-3-1-2-11-8-13(23-15(11)12)16(25)24-10-18(9-14(24)17(26)27)4-6-19(21,22)7-5-18;1-2-17-10(16)9-7-11(8-15-9)3-5-12(13,14)6-4-11;11-9-3-1-2-6-4-7(10(12)13)5-8(6)9;1-14-10(13)8(11)6-7-4-2-3-5-9(7)12;;;/h4,6-7,14,17,21-22,33H,2-3,5,8-13,15-16H2,1H3,(H,34,37);3,5-6,13,16,19,21,33H,1-2,4,7-12,14-15H2,(H2,32,37)(H,34,38);3-5,10,16,25H,2,6-9,11-12H2,1H3;1-3,8,14,23H,4-7,9-10H2,(H,26,27);9,15H,2-8H2,1H3;1-4H,5H2,(H,12,13);7-8H,2-6,11H2,1H3;;2*1H2/q;;;;;;;+1;;/p-1/t17-,21-,22?;16-,19-,21?;;;;;7-,8-;;;/m00....0.../s1.

What are the key properties of lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate?

lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate has a molecular weight of 2645.91 g/mol, XLogP of 19.61, 23 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide;7-chloro-1H-indene-2-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylic acid;ethyl 2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-8,8-difluoro-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydroxide;hydrate is sourced from PubChem (CID 167606811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).