lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide

C57H71LiN12O10 — CID 167692158

IUPAClithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide
SMILESCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n(N)c3C(=O)O)cc2)c1.CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n(N)c3C(C)=O)cc2)c1.[Li+].[OH-]
InChIInChI=1S/C29H36N6O4.C28H34N6O5.Li.H2O/c1-6-19-13-14-31-23(16-19)32-27(37)21-11-9-20(10-12-21)24-25(18(2)36)35(30)26(33-24)22-8-7-15-34(17-22)28(38)39-29(3,4)5;1-5-17-12-13-30-21(15-17)31-25(35)19-10-8-18(9-11-19)22-23(26(36)37)34(29)24(32-22)20-7-6-14-33(16-20)27(38)39-28(2,3)4;;/h9-14,16,22H,6-8,15,17,30H2,1-5H3,(H,31,32,37);8-13,15,20H,5-7,14,16,29H2,1-4H3,(H,36,37)(H,30,31,35);;1H2/q;;+1;/p-1/t22-;20-;;/m11../s1
InChIKeyXCLRBGNQVIXAHV-SXSSQUDGSA-M
MW1091.21 g/mol
LogP5.90
Rot. Bonds12

About lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide

lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide (PubChem CID 167692158) has the molecular formula C57H71LiN12O10 and a molecular weight of 1091.21 g/mol. Its IUPAC name is lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide.

Molecular Properties

Compound Namelithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide
PubChem CID167692158
Molecular FormulaC57H71LiN12O10
Molecular Weight1091.21 g/mol
Exact Mass1090.56
IUPAC Namelithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide
SMILESCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n(N)c3C(=O)O)cc2)c1.CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n(N)c3C(C)=O)cc2)c1.[Li+].[OH-]
InChIInChI=1S/C29H36N6O4.C28H34N6O5.Li.H2O/c1-6-19-13-14-31-23(16-19)32-27(37)21-11-9-20(10-12-21)24-25(18(2)36)35(30)26(33-24)22-8-7-15-34(17-22)28(38)39-29(3,4)5;1-5-17-12-13-30-21(15-17)31-25(35)19-10-8-18(9-11-19)22-23(26(36)37)34(29)24(32-22)20-7-6-14-33(16-20)27(38)39-28(2,3)4;;/h9-14,16,22H,6-8,15,17,30H2,1-5H3,(H,31,32,37);8-13,15,20H,5-7,14,16,29H2,1-4H3,(H,36,37)(H,30,31,35);;1H2/q;;+1;/p-1/t22-;20-;;/m11../s1
InChIKeyXCLRBGNQVIXAHV-SXSSQUDGSA-M
XLogP5.90
TPSA315.11 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001091.21
LogP ≤ 55.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[1-amino-5-ethoxycarbonyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 175437765
3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 167674083
tert-butyl 6-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 167560532
3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.3]heptan-6-yl]imidazole-4-carboxylic acid;tert-butyl 6-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 167624975
tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 167687640
3-amino-5-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]imidazole-4-carboxylic acid
CID 175078408
3-amino-5-[4-[(4-cyano-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]imidazole-4-carboxylic acid
CID 155307490
ethyl 3-amino-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-[4-[(4-propan-2-yl-2-pyridinyl)carbamoyl]phenyl]imidazole-4-carboxylate
CID 155307253
lithium;3-amino-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-5-[4-(pyridazin-3-ylcarbamoyl)phenyl]imidazole-4-carboxylic acid;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-(pyridazin-3-ylcarbamoyl)phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide
CID 167707015
3-amino-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazole-4-carboxylic acid;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylate
CID 167631879
tert-butyl 2-[1-amino-5-carbamoyl-4-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylate
CID 155307510
3-amino-2-[1-(2-cyanoacetyl)piperidin-2-yl]-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazole-4-carboxamide
CID 175072920

Frequently Asked Questions

What is the IUPAC name of lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide?
The IUPAC name of lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide (CID 167692158) is lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide.
What is the SMILES notation for lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide?
The canonical SMILES for lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide is CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n(N)c3C(=O)O)cc2)c1.CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n(N)c3C(C)=O)cc2)c1.[Li+].[OH-].
What is the InChIKey of lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide?
The InChIKey is XCLRBGNQVIXAHV-SXSSQUDGSA-M. The full InChI is InChI=1S/C29H36N6O4.C28H34N6O5.Li.H2O/c1-6-19-13-14-31-23(16-19)32-27(37)21-11-9-20(10-12-21)24-25(18(2)36)35(30)26(33-24)22-8-7-15-34(17-22)28(38)39-29(3,4)5;1-5-17-12-13-30-21(15-17)31-25(35)19-10-8-18(9-11-19)22-23(26(36)37)34(29)24(32-22)20-7-6-14-33(16-20)27(38)39-28(2,3)4;;/h9-14,16,22H,6-8,15,17,30H2,1-5H3,(H,31,32,37);8-13,15,20H,5-7,14,16,29H2,1-4H3,(H,36,37)(H,30,31,35);;1H2/q;;+1;/p-1/t22-;20-;;/m11../s1.
What are the key properties of lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide?
lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide has a molecular weight of 1091.21 g/mol, XLogP of 5.90, 12 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide is sourced from PubChem (CID 167692158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).