lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride

C110H128ClF15LiN19O22 — CID 167596890

About lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride

lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride (PubChem CID 167596890) has the molecular formula C110H128ClF15LiN19O22 and a molecular weight of 2395.71 g/mol. Its IUPAC name is lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride.

Molecular Properties

• Compound Name: lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride
• PubChem CID: 167596890
• Molecular Formula: C110H128ClF15LiN19O22
• Molecular Weight: 2395.71 g/mol
• Exact Mass: 2393.91
• IUPAC Name: lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride
• SMILES: CCOC(=O)c1cc2c(C(F)(F)F)cccc2[nH]1.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC1CC1.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(C(F)(F)F)cccc2[nH]1.Cl.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(C(F)(F)F)cccc2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(C(F)(F)F)cccc2[nH]1.O.O=C(O)c1cc2c(C(F)(F)F)cccc2[nH]1.[Li+].[OH-]
• InChI: InChI=1S/C25H29F3N4O5.C24H28F3N5O4.C24H26F3N5O3.C15H25N3O4.C12H10F3NO2.C10H6F3NO2.ClH.Li.2H2O/c1-37-24(36)20(11-14-4-3-9-29-21(14)33)32-22(34)18(10-13-7-8-13)31-23(35)19-12-15-16(25(26,27)28)5-2-6-17(15)30-19;25-24(26,27)15-4-1-5-16-14(15)11-19(30-16)23(36)32-18(9-12-6-7-12)22(35)31-17(20(28)33)10-13-3-2-8-29-21(13)34;25-24(26,27)17-4-1-5-18-16(17)11-20(31-18)23(35)32-19(9-13-6-7-13)22(34)30-15(12-28)10-14-3-2-8-29-21(14)33;1-22-15(21)12(8-10-3-2-6-17-13(10)19)18-14(20)11(16)7-9-4-5-9;1-2-18-11(17)10-6-7-8(12(13,14)15)4-3-5-9(7)16-10;11-10(12,13)6-2-1-3-7-5(6)4-8(14-7)9(15)16;;;;/h2,5-6,12-14,18,20,30H,3-4,7-11H2,1H3,(H,29,33)(H,31,35)(H,32,34);1,4-5,11-13,17-18,30H,2-3,6-10H2,(H2,28,33)(H,29,34)(H,31,35)(H,32,36);1,4-5,11,13-15,19,31H,2-3,6-10H2,(H,29,33)(H,30,34)(H,32,35);9-12H,2-8,16H2,1H3,(H,17,19)(H,18,20);3-6,16H,2H2,1H3;1-4,14H,(H,15,16);1H;;2*1H2/q;;;;;;;+1;;/p-1/t14-,18-,20-;13-,17-,18-;14-,15-,19-;10-,11-,12-;;;;;;/m0000....../s1
• InChIKey: MSYFBBFZEHPCOC-XBZJYFNWSA-M
• XLogP: 10.00
• TPSA: 669.65 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 22
• Rotatable Bonds: 36
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2395.71
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	22

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-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride?

The IUPAC name of lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride (CID 167596890) is lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride.

What is the SMILES notation for lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride?

The canonical SMILES for lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride is CCOC(=O)c1cc2c(C(F)(F)F)cccc2[nH]1.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC1CC1.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(C(F)(F)F)cccc2[nH]1.Cl.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(C(F)(F)F)cccc2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(C(F)(F)F)cccc2[nH]1.O.O=C(O)c1cc2c(C(F)(F)F)cccc2[nH]1.[Li+].[OH-].

What is the InChIKey of lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride?

The InChIKey is MSYFBBFZEHPCOC-XBZJYFNWSA-M. The full InChI is InChI=1S/C25H29F3N4O5.C24H28F3N5O4.C24H26F3N5O3.C15H25N3O4.C12H10F3NO2.C10H6F3NO2.ClH.Li.2H2O/c1-37-24(36)20(11-14-4-3-9-29-21(14)33)32-22(34)18(10-13-7-8-13)31-23(35)19-12-15-16(25(26,27)28)5-2-6-17(15)30-19;25-24(26,27)15-4-1-5-16-14(15)11-19(30-16)23(36)32-18(9-12-6-7-12)22(35)31-17(20(28)33)10-13-3-2-8-29-21(13)34;25-24(26,27)17-4-1-5-18-16(17)11-20(31-18)23(35)32-19(9-13-6-7-13)22(34)30-15(12-28)10-14-3-2-8-29-21(14)33;1-22-15(21)12(8-10-3-2-6-17-13(10)19)18-14(20)11(16)7-9-4-5-9;1-2-18-11(17)10-6-7-8(12(13,14)15)4-3-5-9(7)16-10;11-10(12,13)6-2-1-3-7-5(6)4-8(14-7)9(15)16;;;;/h2,5-6,12-14,18,20,30H,3-4,7-11H2,1H3,(H,29,33)(H,31,35)(H,32,34);1,4-5,11-13,17-18,30H,2-3,6-10H2,(H2,28,33)(H,29,34)(H,31,35)(H,32,36);1,4-5,11,13-15,19,31H,2-3,6-10H2,(H,29,33)(H,30,34)(H,32,35);9-12H,2-8,16H2,1H3,(H,17,19)(H,18,20);3-6,16H,2H2,1H3;1-4,14H,(H,15,16);1H;;2*1H2/q;;;;;;;+1;;/p-1/t14-,18-,20-;13-,17-,18-;14-,15-,19-;10-,11-,12-;;;;;;/m0000....../s1.

What are the key properties of lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride?

lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride has a molecular weight of 2395.71 g/mol, XLogP of 10.00, 36 rotatable bonds, 19 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride is sourced from PubChem (CID 167596890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).