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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;hydrochloride

C105H121Br5ClF5LiN19O21 — CID 163797062

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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;hydrochloride (PubChem CID 163797062) has the molecular formula C105H121Br5ClF5LiN19O21 and a molecular weight of 2522.14 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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;hydrochloride
• PubChem CID: 163797062
• Molecular Formula: C105H121Br5ClF5LiN19O21
• Molecular Weight: 2522.14 g/mol
• Exact Mass: 2515.47
• 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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;hydrochloride
• SMILES: CCOC(=O)c1cc2cc(F)cc(Br)c2[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)c1cc2cc(F)cc(Br)c2[nH]1.Cl.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2cc(F)cc(Br)c2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2cc(F)cc(Br)c2[nH]1.O=C(O)c1cc2cc(F)cc(Br)c2[nH]1.[Li+].[OH-]
• InChI: InChI=1S/C24H28BrFN4O5.C23H27BrFN5O4.C23H25BrFN5O3.C15H25N3O4.C11H9BrFNO2.C9H5BrFNO2.ClH.Li.H2O/c1-35-24(34)19(9-13-3-2-6-27-21(13)31)30-22(32)17(7-12-4-5-12)29-23(33)18-10-14-8-15(26)11-16(25)20(14)28-18;24-15-10-14(25)7-13-9-18(28-19(13)15)23(34)30-17(6-11-3-4-11)22(33)29-16(20(26)31)8-12-2-1-5-27-21(12)32;24-17-10-15(25)7-14-9-19(29-20(14)17)23(33)30-18(6-12-3-4-12)22(32)28-16(11-26)8-13-2-1-5-27-21(13)31;1-22-15(21)12(8-10-3-2-6-17-13(10)19)18-14(20)11(16)7-9-4-5-9;1-2-16-11(15)9-4-6-3-7(13)5-8(12)10(6)14-9;10-6-3-5(11)1-4-2-7(9(13)14)12-8(4)6;;;/h8,10-13,17,19,28H,2-7,9H2,1H3,(H,27,31)(H,29,33)(H,30,32);7,9-12,16-17,28H,1-6,8H2,(H2,26,31)(H,27,32)(H,29,33)(H,30,34);7,9-10,12-13,16,18,29H,1-6,8H2,(H,27,31)(H,28,32)(H,30,33);9-12H,2-8,16H2,1H3,(H,17,19)(H,18,20);3-5,14H,2H2,1H3;1-3,12H,(H,13,14);1H;;1H2/q;;;;;;;+1;/p-1/t13-,17-,19-;12-,16-,17-;13-,16-,18-;10-,11-,12-;;;;;/m0000...../s1
• InChIKey: GVZFNGLXUZULDQ-AKGXRRNUSA-M
• XLogP: 10.24
• TPSA: 638.15 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 22
• Rotatable Bonds: 36
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2522.14
LogP ≤ 5	10.24
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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;hydrochloride (CID 163797062) 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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;hydrochloride is CCOC(=O)c1cc2cc(F)cc(Br)c2[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)c1cc2cc(F)cc(Br)c2[nH]1.Cl.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2cc(F)cc(Br)c2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2cc(F)cc(Br)c2[nH]1.O=C(O)c1cc2cc(F)cc(Br)c2[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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;hydrochloride?

The InChIKey is GVZFNGLXUZULDQ-AKGXRRNUSA-M. The full InChI is InChI=1S/C24H28BrFN4O5.C23H27BrFN5O4.C23H25BrFN5O3.C15H25N3O4.C11H9BrFNO2.C9H5BrFNO2.ClH.Li.H2O/c1-35-24(34)19(9-13-3-2-6-27-21(13)31)30-22(32)17(7-12-4-5-12)29-23(33)18-10-14-8-15(26)11-16(25)20(14)28-18;24-15-10-14(25)7-13-9-18(28-19(13)15)23(34)30-17(6-11-3-4-11)22(33)29-16(20(26)31)8-12-2-1-5-27-21(12)32;24-17-10-15(25)7-14-9-19(29-20(14)17)23(33)30-18(6-12-3-4-12)22(32)28-16(11-26)8-13-2-1-5-27-21(13)31;1-22-15(21)12(8-10-3-2-6-17-13(10)19)18-14(20)11(16)7-9-4-5-9;1-2-16-11(15)9-4-6-3-7(13)5-8(12)10(6)14-9;10-6-3-5(11)1-4-2-7(9(13)14)12-8(4)6;;;/h8,10-13,17,19,28H,2-7,9H2,1H3,(H,27,31)(H,29,33)(H,30,32);7,9-12,16-17,28H,1-6,8H2,(H2,26,31)(H,27,32)(H,29,33)(H,30,34);7,9-10,12-13,16,18,29H,1-6,8H2,(H,27,31)(H,28,32)(H,30,33);9-12H,2-8,16H2,1H3,(H,17,19)(H,18,20);3-5,14H,2H2,1H3;1-3,12H,(H,13,14);1H;;1H2/q;;;;;;;+1;/p-1/t13-,17-,19-;12-,16-,17-;13-,16-,18-;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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;hydrochloride has a molecular weight of 2522.14 g/mol, XLogP of 10.24, 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]-7-bromo-5-fluoro-1H-indole-2-carboxamide;7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide;7-bromo-5-fluoro-1H-indole-2-carboxylic acid;ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-bromo-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydroxide;hydrochloride is sourced from PubChem (CID 163797062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).