lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride

C52H46Cl3F2LiN20O6 — CID 159276806

IUPAClithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride
SMILESCCOC(=O)c1cn(Cc2cn3ncccc3n2)cn1.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3ccccc3n2)cn1.O=C(O)c1cn(Cc2cn3ccccc3n2)nn1.[Li+].[OH-]
InChIInChI=1S/C20H15ClFN7O.C13H13N5O2.C11H9N5O2.C8H7ClFN3.ClH.Li.H2O/c21-14-4-6-29-12-25-15(19(29)18(14)22)7-23-20(30)16-10-27(11-24-16)8-13-9-28-5-2-1-3-17(28)26-13;1-2-20-13(19)11-8-17(9-14-11)6-10-7-18-12(16-10)4-3-5-15-18;17-11(18)9-7-16(14-13-9)6-8-5-15-4-2-1-3-10(15)12-8;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;;;/h1-6,9-12H,7-8H2,(H,23,30);3-5,7-9H,2,6H2,1H3;1-5,7H,6H2,(H,17,18);1-2,4H,3,11H2;1H;;1H2/q;;;;;+1;/p-1
InChIKeyVYIRAHPKFKDZQV-UHFFFAOYSA-M
MW1198.37 g/mol
LogP3.61
Rot. Bonds13

About lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride

lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride (PubChem CID 159276806) has the molecular formula C52H46Cl3F2LiN20O6 and a molecular weight of 1198.37 g/mol. Its IUPAC name is lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride
PubChem CID159276806
Molecular FormulaC52H46Cl3F2LiN20O6
Molecular Weight1198.37 g/mol
Exact Mass1196.31
IUPAC Namelithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride
SMILESCCOC(=O)c1cn(Cc2cn3ncccc3n2)cn1.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3ccccc3n2)cn1.O=C(O)c1cn(Cc2cn3ccccc3n2)nn1.[Li+].[OH-]
InChIInChI=1S/C20H15ClFN7O.C13H13N5O2.C11H9N5O2.C8H7ClFN3.ClH.Li.H2O/c21-14-4-6-29-12-25-15(19(29)18(14)22)7-23-20(30)16-10-27(11-24-16)8-13-9-28-5-2-1-3-17(28)26-13;1-2-20-13(19)11-8-17(9-14-11)6-10-7-18-12(16-10)4-3-5-15-18;17-11(18)9-7-16(14-13-9)6-8-5-15-4-2-1-3-10(15)12-8;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;;;/h1-6,9-12H,7-8H2,(H,23,30);3-5,7-9H,2,6H2,1H3;1-5,7H,6H2,(H,17,18);1-2,4H,3,11H2;1H;;1H2/q;;;;;+1;/p-1
InChIKeyVYIRAHPKFKDZQV-UHFFFAOYSA-M
XLogP3.61
TPSA314.46 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.37
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride with MolForge

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Related Compounds

Ethyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylate
CID 139490546
[8-Tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;(2,2-dimethylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate
CID 157697778
2-(azidomethyl)-6-cyclopropyl-8-methylimidazo[1,2-a]pyridine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;2-(chloromethyl)-6-cyclopropyl-8-methylimidazo[1,2-a]pyridine;1-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-cyclopropyl-3-(trifluoromethyl)pyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate
CID 158096689
3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 158546112
4-(8-Tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide
CID 159976136
2-(azidomethyl)-6-cyclopropyl-8-methylimidazo[1,2-a]pyridine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;2-(chloromethyl)-6-cyclopropyl-8-methylimidazo[1,2-a]pyridine;5-cyclopropyl-3-methylpyridin-2-amine;1-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1,3-dichloropropan-2-one;ethyl 1-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate
CID 160041039
1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate
CID 87151680
tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride
CID 157067871
(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;2H-pyrrole;hydrochloride
CID 157109539
7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 157119704
lithium;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylate;methane;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;hydrochloride
CID 157125655
2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 157161071

Frequently Asked Questions

What is the IUPAC name of lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride?
The IUPAC name of lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride (CID 159276806) is lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride.
What is the SMILES notation for lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride?
The canonical SMILES for lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride is CCOC(=O)c1cn(Cc2cn3ncccc3n2)cn1.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3ccccc3n2)cn1.O=C(O)c1cn(Cc2cn3ccccc3n2)nn1.[Li+].[OH-].
What is the InChIKey of lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride?
The InChIKey is VYIRAHPKFKDZQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H15ClFN7O.C13H13N5O2.C11H9N5O2.C8H7ClFN3.ClH.Li.H2O/c21-14-4-6-29-12-25-15(19(29)18(14)22)7-23-20(30)16-10-27(11-24-16)8-13-9-28-5-2-1-3-17(28)26-13;1-2-20-13(19)11-8-17(9-14-11)6-10-7-18-12(16-10)4-3-5-15-18;17-11(18)9-7-16(14-13-9)6-8-5-15-4-2-1-3-10(15)12-8;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;;;/h1-6,9-12H,7-8H2,(H,23,30);3-5,7-9H,2,6H2,1H3;1-5,7H,6H2,(H,17,18);1-2,4H,3,11H2;1H;;1H2/q;;;;;+1;/p-1.
What are the key properties of lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride?
lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride has a molecular weight of 1198.37 g/mol, XLogP of 3.61, 13 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride is sourced from PubChem (CID 159276806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).