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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;hydroxide;hydrochloride

C109H124ClLiN24O21 — CID 163567818

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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;hydroxide;hydrochloride (PubChem CID 163567818) has the molecular formula C109H124ClLiN24O21 and a molecular weight of 2148.73 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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;hydroxide;hydrochloride
• PubChem CID: 163567818
• Molecular Formula: C109H124ClLiN24O21
• Molecular Weight: 2148.73 g/mol
• Exact Mass: 2146.92
• 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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;hydroxide;hydrochloride
• SMILES: COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC1CC1.Cl.N#Cc1ccc2cc(C(=O)N[C@@H](CC3CC3)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(N)=O)[nH]c2c1.[C-]#[N+]c1ccc2cc(C(=O)N[C@@H](CC3CC3)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)OC)[nH]c2c1.[C-]#[N+]c1ccc2cc(C(=O)N[C@@H](CC3CC3)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)[nH]c2c1.[C-]#[N+]c1ccc2cc(C(=O)O)[nH]c2c1.[C-]#[N+]c1ccc2cc(C(=O)OC)[nH]c2c1.[Li+].[OH-]
• InChI: InChI=1S/C25H29N5O5.C24H28N6O4.C24H26N6O3.C15H25N3O4.C11H8N2O2.C10H6N2O2.ClH.Li.H2O/c1-26-17-8-7-15-11-20(28-18(15)13-17)24(33)29-19(10-14-5-6-14)23(32)30-21(25(34)35-2)12-16-4-3-9-27-22(16)31;25-12-14-5-6-15-10-20(28-17(15)9-14)24(34)30-19(8-13-3-4-13)23(33)29-18(21(26)31)11-16-2-1-7-27-22(16)32;1-26-17-7-6-15-11-21(29-19(15)12-17)24(33)30-20(9-14-4-5-14)23(32)28-18(13-25)10-16-3-2-8-27-22(16)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;1-12-8-4-3-7-5-10(11(14)15-2)13-9(7)6-8;1-11-7-3-2-6-4-9(10(13)14)12-8(6)5-7;;;/h7-8,11,13-14,16,19,21,28H,3-6,9-10,12H2,2H3,(H,27,31)(H,29,33)(H,30,32);5-6,9-10,13,16,18-19,28H,1-4,7-8,11H2,(H2,26,31)(H,27,32)(H,29,33)(H,30,34);6-7,11-12,14,16,18,20,29H,2-5,8-10H2,(H,27,31)(H,28,32)(H,30,33);9-12H,2-8,16H2,1H3,(H,17,19)(H,18,20);3-6,13H,2H3;2-5,12H,(H,13,14);1H;;1H2/q;;;;;;;+1;/p-1/t16-,19-,21-;16-,18-,19-;16-,18-,20-;10-,11-,12-;;;;;/m0000...../s1
• InChIKey: ODRCRWYORXFDSP-BXPCINPWSA-M
• XLogP: 7.42
• TPSA: 679.38 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 23
• Rotatable Bonds: 35
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2148.73
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;hydroxide;hydrochloride (CID 163567818) 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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;hydroxide;hydrochloride is COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC1CC1.Cl.N#Cc1ccc2cc(C(=O)N[C@@H](CC3CC3)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(N)=O)[nH]c2c1.[C-]#[N+]c1ccc2cc(C(=O)N[C@@H](CC3CC3)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)OC)[nH]c2c1.[C-]#[N+]c1ccc2cc(C(=O)N[C@@H](CC3CC3)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)[nH]c2c1.[C-]#[N+]c1ccc2cc(C(=O)O)[nH]c2c1.[C-]#[N+]c1ccc2cc(C(=O)OC)[nH]c2c1.[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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;hydroxide;hydrochloride?

The InChIKey is ODRCRWYORXFDSP-BXPCINPWSA-M. The full InChI is InChI=1S/C25H29N5O5.C24H28N6O4.C24H26N6O3.C15H25N3O4.C11H8N2O2.C10H6N2O2.ClH.Li.H2O/c1-26-17-8-7-15-11-20(28-18(15)13-17)24(33)29-19(10-14-5-6-14)23(32)30-21(25(34)35-2)12-16-4-3-9-27-22(16)31;25-12-14-5-6-15-10-20(28-17(15)9-14)24(34)30-19(8-13-3-4-13)23(33)29-18(21(26)31)11-16-2-1-7-27-22(16)32;1-26-17-7-6-15-11-21(29-19(15)12-17)24(33)30-20(9-14-4-5-14)23(32)28-18(13-25)10-16-3-2-8-27-22(16)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;1-12-8-4-3-7-5-10(11(14)15-2)13-9(7)6-8;1-11-7-3-2-6-4-9(10(13)14)12-8(6)5-7;;;/h7-8,11,13-14,16,19,21,28H,3-6,9-10,12H2,2H3,(H,27,31)(H,29,33)(H,30,32);5-6,9-10,13,16,18-19,28H,1-4,7-8,11H2,(H2,26,31)(H,27,32)(H,29,33)(H,30,34);6-7,11-12,14,16,18,20,29H,2-5,8-10H2,(H,27,31)(H,28,32)(H,30,33);9-12H,2-8,16H2,1H3,(H,17,19)(H,18,20);3-6,13H,2H3;2-5,12H,(H,13,14);1H;;1H2/q;;;;;;;+1;/p-1/t16-,19-,21-;16-,18-,19-;16-,18-,20-;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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;hydroxide;hydrochloride has a molecular weight of 2148.73 g/mol, XLogP of 7.42, 35 rotatable bonds, 19 hydrogen bond donors, and 23 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]-6-cyano-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide;6-isocyano-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(6-isocyano-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 6-isocyano-1H-indole-2-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 163567818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).