lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride

C126H141Cl8F7LiN25NaO27+ — CID 167577494

IUPAClithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride
SMILESCCOC(=O)CN=[N+]=N.COC(=O)/C(=C/c1cccc(F)c1Cl)N=[N+]=[N-].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(Cl)c(F)ccc2[nH]1.COC(=O)c1cc2c(Cl)c(F)ccc2[nH]1.C[O-].Cl.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(Cl)c(F)ccc2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(Cl)c(F)ccc2[nH]1.O=C(O)c1cc2c(Cl)c(F)ccc2[nH]1.O=Cc1cccc(F)c1Cl.[Li+].[Na+].[OH-]
InChIInChI=1S/C24H28ClFN4O5.C23H27ClFN5O4.C23H25ClFN5O3.C15H25N3O4.C10H7ClFN3O2.C10H7ClFNO2.C9H5ClFNO2.C7H4ClFO.C4H8N3O2.CH3O.ClH.Li.Na.H2O/c1-35-24(34)19(10-13-3-2-8-27-21(13)31)30-22(32)17(9-12-4-5-12)29-23(33)18-11-14-16(28-18)7-6-15(26)20(14)25;24-19-13-10-18(28-15(13)6-5-14(19)25)23(34)30-17(8-11-3-4-11)22(33)29-16(20(26)31)9-12-2-1-7-27-21(12)32;24-20-15-10-19(29-17(15)6-5-16(20)25)23(33)30-18(8-12-3-4-12)22(32)28-14(11-26)9-13-2-1-7-27-21(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;1-17-10(16)8(14-15-13)5-6-3-2-4-7(12)9(6)11;1-15-10(14)8-4-5-7(13-8)3-2-6(12)9(5)11;10-8-4-3-7(9(13)14)12-6(4)2-1-5(8)11;8-7-5(4-10)2-1-3-6(7)9;1-2-9-4(8)3-6-7-5;1-2;;;;/h6-7,11-13,17,19,28H,2-5,8-10H2,1H3,(H,27,31)(H,29,33)(H,30,32);5-6,10-12,16-17,28H,1-4,7-9H2,(H2,26,31)(H,27,32)(H,29,33)(H,30,34);5-6,10,12-14,18,29H,1-4,7-9H2,(H,27,31)(H,28,32)(H,30,33);9-12H,2-8,16H2,1H3,(H,17,19)(H,18,20);2-5H,1H3;2-4,13H,1H3;1-3,12H,(H,13,14);1-4H;5H,2-3H2,1H3;1H3;1H;;;1H2/q;;;;;;;;+1;-1;;2*+1;/p-1/b;;;;8-5-;;;;;;;;;/t13-,17-,19-;12-,16-,17-;13-,14-,18-;10-,11-,12-;;;;;;;;;;/m0000........../s1
InChIKeyCCGGARDZFYAHHB-CJZPCSECSA-M
MW2884.20 g/mol
LogP10.98
Rot. Bonds42

About lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride

lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride (PubChem CID 167577494) has the molecular formula C126H141Cl8F7LiN25NaO27+ and a molecular weight of 2884.20 g/mol. Its IUPAC name is lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride
PubChem CID167577494
Molecular FormulaC126H141Cl8F7LiN25NaO27+
Molecular Weight2884.20 g/mol
Exact Mass2878.79
IUPAC Namelithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride
SMILESCCOC(=O)CN=[N+]=N.COC(=O)/C(=C/c1cccc(F)c1Cl)N=[N+]=[N-].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(Cl)c(F)ccc2[nH]1.COC(=O)c1cc2c(Cl)c(F)ccc2[nH]1.C[O-].Cl.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(Cl)c(F)ccc2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(Cl)c(F)ccc2[nH]1.O=C(O)c1cc2c(Cl)c(F)ccc2[nH]1.O=Cc1cccc(F)c1Cl.[Li+].[Na+].[OH-]
InChIInChI=1S/C24H28ClFN4O5.C23H27ClFN5O4.C23H25ClFN5O3.C15H25N3O4.C10H7ClFN3O2.C10H7ClFNO2.C9H5ClFNO2.C7H4ClFO.C4H8N3O2.CH3O.ClH.Li.Na.H2O/c1-35-24(34)19(10-13-3-2-8-27-21(13)31)30-22(32)17(9-12-4-5-12)29-23(33)18-11-14-16(28-18)7-6-15(26)20(14)25;24-19-13-10-18(28-15(13)6-5-14(19)25)23(34)30-17(8-11-3-4-11)22(33)29-16(20(26)31)9-12-2-1-7-27-21(12)32;24-20-15-10-19(29-17(15)6-5-16(20)25)23(33)30-18(8-12-3-4-12)22(32)28-14(11-26)9-13-2-1-7-27-21(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;1-17-10(16)8(14-15-13)5-6-3-2-4-7(12)9(6)11;1-15-10(14)8-4-5-7(13-8)3-2-6(12)9(5)11;10-8-4-3-7(9(13)14)12-6(4)2-1-5(8)11;8-7-5(4-10)2-1-3-6(7)9;1-2-9-4(8)3-6-7-5;1-2;;;;/h6-7,11-13,17,19,28H,2-5,8-10H2,1H3,(H,27,31)(H,29,33)(H,30,32);5-6,10-12,16-17,28H,1-4,7-9H2,(H2,26,31)(H,27,32)(H,29,33)(H,30,34);5-6,10,12-14,18,29H,1-4,7-9H2,(H,27,31)(H,28,32)(H,30,33);9-12H,2-8,16H2,1H3,(H,17,19)(H,18,20);2-5H,1H3;2-4,13H,1H3;1-3,12H,(H,13,14);1-4H;5H,2-3H2,1H3;1H3;1H;;;1H2/q;;;;;;;;+1;-1;;2*+1;/p-1/b;;;;8-5-;;;;;;;;;/t13-,17-,19-;12-,16-,17-;13-,14-,18-;10-,11-,12-;;;;;;;;;;/m0000........../s1
InChIKeyCCGGARDZFYAHHB-CJZPCSECSA-M
XLogP10.98
TPSA829.95 Ų
H-Bond Donors20
H-Bond Acceptors31
Rotatable Bonds42
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002884.20
LogP ≤ 510.98
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride with MolForge

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Related Compounds

methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 162479572
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-chloro-4-methoxy-1H-indole-2-carboxamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide;7-chloro-4-methoxy-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)-2-[(7-chloro-4-methoxy-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydrochloride
CID 167540175
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloro-1H-indole-2-carboxamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;molecular hydrogen;hydrochloride
CID 167687189
lithium;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(cyclopropylmethyl)-4-oxo-4-[4-(trifluoromethyl)-1H-indol-2-yl]butanamide;(2R)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxo-4-[4-(trifluoromethyl)-1H-indol-2-yl]butanamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-oxo-4-[4-(trifluoromethyl)-1H-indol-2-yl]butanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride
CID 163737154
methyl 2-[[2-[(4-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 175458515
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167691438
methyl (2S)-2-[[(2S)-2-[(4-chloro-7-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 166893755
7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 166840143
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-chloro-1H-indole-2-carboxamide
CID 162479164
4,6-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 162479128
N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 166505926
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
CID 163907970

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride?
The IUPAC name of lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride (CID 167577494) is lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride.
What is the SMILES notation for lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride?
The canonical SMILES for lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride is CCOC(=O)CN=[N+]=N.COC(=O)/C(=C/c1cccc(F)c1Cl)N=[N+]=[N-].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(Cl)c(F)ccc2[nH]1.COC(=O)c1cc2c(Cl)c(F)ccc2[nH]1.C[O-].Cl.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(Cl)c(F)ccc2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(Cl)c(F)ccc2[nH]1.O=C(O)c1cc2c(Cl)c(F)ccc2[nH]1.O=Cc1cccc(F)c1Cl.[Li+].[Na+].[OH-].
What is the InChIKey of lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride?
The InChIKey is CCGGARDZFYAHHB-CJZPCSECSA-M. The full InChI is InChI=1S/C24H28ClFN4O5.C23H27ClFN5O4.C23H25ClFN5O3.C15H25N3O4.C10H7ClFN3O2.C10H7ClFNO2.C9H5ClFNO2.C7H4ClFO.C4H8N3O2.CH3O.ClH.Li.Na.H2O/c1-35-24(34)19(10-13-3-2-8-27-21(13)31)30-22(32)17(9-12-4-5-12)29-23(33)18-11-14-16(28-18)7-6-15(26)20(14)25;24-19-13-10-18(28-15(13)6-5-14(19)25)23(34)30-17(8-11-3-4-11)22(33)29-16(20(26)31)9-12-2-1-7-27-21(12)32;24-20-15-10-19(29-17(15)6-5-16(20)25)23(33)30-18(8-12-3-4-12)22(32)28-14(11-26)9-13-2-1-7-27-21(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;1-17-10(16)8(14-15-13)5-6-3-2-4-7(12)9(6)11;1-15-10(14)8-4-5-7(13-8)3-2-6(12)9(5)11;10-8-4-3-7(9(13)14)12-6(4)2-1-5(8)11;8-7-5(4-10)2-1-3-6(7)9;1-2-9-4(8)3-6-7-5;1-2;;;;/h6-7,11-13,17,19,28H,2-5,8-10H2,1H3,(H,27,31)(H,29,33)(H,30,32);5-6,10-12,16-17,28H,1-4,7-9H2,(H2,26,31)(H,27,32)(H,29,33)(H,30,34);5-6,10,12-14,18,29H,1-4,7-9H2,(H,27,31)(H,28,32)(H,30,33);9-12H,2-8,16H2,1H3,(H,17,19)(H,18,20);2-5H,1H3;2-4,13H,1H3;1-3,12H,(H,13,14);1-4H;5H,2-3H2,1H3;1H3;1H;;;1H2/q;;;;;;;;+1;-1;;2*+1;/p-1/b;;;;8-5-;;;;;;;;;/t13-,17-,19-;12-,16-,17-;13-,14-,18-;10-,11-,12-;;;;;;;;;;/m0000........../s1.
What are the key properties of lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride?
lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride has a molecular weight of 2884.20 g/mol, XLogP of 10.98, 42 rotatable bonds, 20 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;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-chloro-5-fluoro-1H-indole-2-carboxamide;4-chloro-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;2-chloro-3-fluorobenzaldehyde;4-chloro-5-fluoro-1H-indole-2-carboxylic acid;(2-ethoxy-2-oxoethyl)imino-iminoazanium;methanolate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-3-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 167577494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).