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-chloro-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride

C124H136Cl8F7LiN25O26+ — CID 167635256

IUPAClithium;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-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride
SMILESCOC(=O)/C(=C/c1ccc(F)cc1Cl)N=[N+]=[N-].COC(=O)CN=[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)cc(F)cc2[nH]1.COC(=O)c1cc2c(Cl)cc(F)cc2[nH]1.Cl.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(Cl)cc(F)cc2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(Cl)cc(F)cc2[nH]1.O=C(O)c1cc2c(Cl)cc(F)cc2[nH]1.O=Cc1ccc(F)cc1Cl.[Li+].[OH-]
InChIInChI=1S/C24H28ClFN4O5.C23H27ClFN5O4.C23H25ClFN5O3.C15H25N3O4.C10H7ClFN3O2.C10H7ClFNO2.C9H5ClFNO2.C7H4ClFO.C3H6N3O2.ClH.Li.H2O/c1-35-24(34)20(8-13-3-2-6-27-21(13)31)30-22(32)18(7-12-4-5-12)29-23(33)19-11-15-16(25)9-14(26)10-17(15)28-19;24-15-8-13(25)9-16-14(15)10-19(28-16)23(34)30-18(6-11-3-4-11)22(33)29-17(20(26)31)7-12-2-1-5-27-21(12)32;24-17-8-14(25)9-18-16(17)10-20(29-18)23(33)30-19(6-12-3-4-12)22(32)28-15(11-26)7-13-2-1-5-27-21(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;1-17-10(16)9(14-15-13)4-6-2-3-7(12)5-8(6)11;1-15-10(14)9-4-6-7(11)2-5(12)3-8(6)13-9;10-6-1-4(11)2-7-5(6)3-8(12-7)9(13)14;8-7-3-6(9)2-1-5(7)4-10;1-8-3(7)2-5-6-4;;;/h9-13,18,20,28H,2-8H2,1H3,(H,27,31)(H,29,33)(H,30,32);8-12,17-18,28H,1-7H2,(H2,26,31)(H,27,32)(H,29,33)(H,30,34);8-10,12-13,15,19,29H,1-7H2,(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;4H,2H2,1H3;1H;;1H2/q;;;;;;;;+1;;+1;/p-1/b;;;;9-4-;;;;;;;/t13-,18-,20-;12-,17-,18-;13-,15-,19-;10-,11-,12-;;;;;;;;/m0000......../s1
InChIKeyVJFHRKPRKSAMKV-BCTLZEBVSA-M
MW2816.15 g/mol
LogP14.61
Rot. Bonds41

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-chloro-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-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]-4-chloro-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride (PubChem CID 167635256) has the molecular formula C124H136Cl8F7LiN25O26+ and a molecular weight of 2816.15 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-chloro-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;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-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride
PubChem CID167635256
Molecular FormulaC124H136Cl8F7LiN25O26+
Molecular Weight2816.15 g/mol
Exact Mass2810.76
IUPAC Namelithium;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-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride
SMILESCOC(=O)/C(=C/c1ccc(F)cc1Cl)N=[N+]=[N-].COC(=O)CN=[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)cc(F)cc2[nH]1.COC(=O)c1cc2c(Cl)cc(F)cc2[nH]1.Cl.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(Cl)cc(F)cc2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(Cl)cc(F)cc2[nH]1.O=C(O)c1cc2c(Cl)cc(F)cc2[nH]1.O=Cc1ccc(F)cc1Cl.[Li+].[OH-]
InChIInChI=1S/C24H28ClFN4O5.C23H27ClFN5O4.C23H25ClFN5O3.C15H25N3O4.C10H7ClFN3O2.C10H7ClFNO2.C9H5ClFNO2.C7H4ClFO.C3H6N3O2.ClH.Li.H2O/c1-35-24(34)20(8-13-3-2-6-27-21(13)31)30-22(32)18(7-12-4-5-12)29-23(33)19-11-15-16(25)9-14(26)10-17(15)28-19;24-15-8-13(25)9-16-14(15)10-19(28-16)23(34)30-18(6-11-3-4-11)22(33)29-17(20(26)31)7-12-2-1-5-27-21(12)32;24-17-8-14(25)9-18-16(17)10-20(29-18)23(33)30-19(6-12-3-4-12)22(32)28-15(11-26)7-13-2-1-5-27-21(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;1-17-10(16)9(14-15-13)4-6-2-3-7(12)5-8(6)11;1-15-10(14)9-4-6-7(11)2-5(12)3-8(6)13-9;10-6-1-4(11)2-7-5(6)3-8(12-7)9(13)14;8-7-3-6(9)2-1-5(7)4-10;1-8-3(7)2-5-6-4;;;/h9-13,18,20,28H,2-8H2,1H3,(H,27,31)(H,29,33)(H,30,32);8-12,17-18,28H,1-7H2,(H2,26,31)(H,27,32)(H,29,33)(H,30,34);8-10,12-13,15,19,29H,1-7H2,(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;4H,2H2,1H3;1H;;1H2/q;;;;;;;;+1;;+1;/p-1/b;;;;9-4-;;;;;;;/t13-,18-,20-;12-,17-,18-;13-,15-,19-;10-,11-,12-;;;;;;;;/m0000......../s1
InChIKeyVJFHRKPRKSAMKV-BCTLZEBVSA-M
XLogP14.61
TPSA806.89 Ų
H-Bond Donors20
H-Bond Acceptors30
Rotatable Bonds41
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002816.15
LogP ≤ 514.61
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1030

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;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-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride with MolForge

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Related Compounds

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-chloro-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-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]-4-chloro-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride (CID 167635256) 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-chloro-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-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]-4-chloro-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-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]-4-chloro-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride is COC(=O)/C(=C/c1ccc(F)cc1Cl)N=[N+]=[N-].COC(=O)CN=[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)cc(F)cc2[nH]1.COC(=O)c1cc2c(Cl)cc(F)cc2[nH]1.Cl.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(Cl)cc(F)cc2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(Cl)cc(F)cc2[nH]1.O=C(O)c1cc2c(Cl)cc(F)cc2[nH]1.O=Cc1ccc(F)cc1Cl.[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-chloro-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride?
The InChIKey is VJFHRKPRKSAMKV-BCTLZEBVSA-M. The full InChI is InChI=1S/C24H28ClFN4O5.C23H27ClFN5O4.C23H25ClFN5O3.C15H25N3O4.C10H7ClFN3O2.C10H7ClFNO2.C9H5ClFNO2.C7H4ClFO.C3H6N3O2.ClH.Li.H2O/c1-35-24(34)20(8-13-3-2-6-27-21(13)31)30-22(32)18(7-12-4-5-12)29-23(33)19-11-15-16(25)9-14(26)10-17(15)28-19;24-15-8-13(25)9-16-14(15)10-19(28-16)23(34)30-18(6-11-3-4-11)22(33)29-17(20(26)31)7-12-2-1-5-27-21(12)32;24-17-8-14(25)9-18-16(17)10-20(29-18)23(33)30-19(6-12-3-4-12)22(32)28-15(11-26)7-13-2-1-5-27-21(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;1-17-10(16)9(14-15-13)4-6-2-3-7(12)5-8(6)11;1-15-10(14)9-4-6-7(11)2-5(12)3-8(6)13-9;10-6-1-4(11)2-7-5(6)3-8(12-7)9(13)14;8-7-3-6(9)2-1-5(7)4-10;1-8-3(7)2-5-6-4;;;/h9-13,18,20,28H,2-8H2,1H3,(H,27,31)(H,29,33)(H,30,32);8-12,17-18,28H,1-7H2,(H2,26,31)(H,27,32)(H,29,33)(H,30,34);8-10,12-13,15,19,29H,1-7H2,(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;4H,2H2,1H3;1H;;1H2/q;;;;;;;;+1;;+1;/p-1/b;;;;9-4-;;;;;;;/t13-,18-,20-;12-,17-,18-;13-,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-chloro-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-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]-4-chloro-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride has a molecular weight of 2816.15 g/mol, XLogP of 14.61, 41 rotatable bonds, 20 hydrogen bond donors, and 30 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-chloro-6-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]-6-fluoro-1H-indole-2-carboxamide;2-chloro-4-fluorobenzaldehyde;4-chloro-6-fluoro-1H-indole-2-carboxylic acid;imino-(2-methoxy-2-oxoethyl)iminoazanium;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (Z)-2-azido-3-(2-chloro-4-fluorophenyl)prop-2-enoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl 4-chloro-6-fluoro-1H-indole-2-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 167635256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).