lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride

C62H67ClLiN15O6 — CID 157187940

IUPAClithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride
SMILESCOC(=O)c1ccnc(Cn2cc3cc(C)ccc3n2)c1.Cc1cc(N)nc(C)c1CN.Cc1ccc2nn(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)cc2c1.Cc1ccc2nn(Cc3cc(C(=O)O)ccn3)cc2c1.Cl.[Li+].[OH-]
InChIInChI=1S/C23H24N6O.C16H15N3O2.C15H13N3O2.C8H13N3.ClH.Li.H2O/c1-14-4-5-21-18(8-14)12-29(28-21)13-19-10-17(6-7-25-19)23(30)26-11-20-15(2)9-22(24)27-16(20)3;1-11-3-4-15-13(7-11)9-19(18-15)10-14-8-12(5-6-17-14)16(20)21-2;1-10-2-3-14-12(6-10)8-18(17-14)9-13-7-11(15(19)20)4-5-16-13;1-5-3-8(10)11-6(2)7(5)4-9;;;/h4-10,12H,11,13H2,1-3H3,(H2,24,27)(H,26,30);3-9H,10H2,1-2H3;2-8H,9H2,1H3,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H;;1H2/q;;;;;+1;/p-1
InChIKeyZRMDGQUDKLPRNC-UHFFFAOYSA-M
MW1160.71 g/mol
LogP6.36
Rot. Bonds12

About lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride

lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride (PubChem CID 157187940) has the molecular formula C62H67ClLiN15O6 and a molecular weight of 1160.71 g/mol. Its IUPAC name is lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride
PubChem CID157187940
Molecular FormulaC62H67ClLiN15O6
Molecular Weight1160.71 g/mol
Exact Mass1159.52
IUPAC Namelithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride
SMILESCOC(=O)c1ccnc(Cn2cc3cc(C)ccc3n2)c1.Cc1cc(N)nc(C)c1CN.Cc1ccc2nn(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)cc2c1.Cc1ccc2nn(Cc3cc(C(=O)O)ccn3)cc2c1.Cl.[Li+].[OH-]
InChIInChI=1S/C23H24N6O.C16H15N3O2.C15H13N3O2.C8H13N3.ClH.Li.H2O/c1-14-4-5-21-18(8-14)12-29(28-21)13-19-10-17(6-7-25-19)23(30)26-11-20-15(2)9-22(24)27-16(20)3;1-11-3-4-15-13(7-11)9-19(18-15)10-14-8-12(5-6-17-14)16(20)21-2;1-10-2-3-14-12(6-10)8-18(17-14)9-13-7-11(15(19)20)4-5-16-13;1-5-3-8(10)11-6(2)7(5)4-9;;;/h4-10,12H,11,13H2,1-3H3,(H2,24,27)(H,26,30);3-9H,10H2,1-2H3;2-8H,9H2,1H3,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H;;1H2/q;;;;;+1;/p-1
InChIKeyZRMDGQUDKLPRNC-UHFFFAOYSA-M
XLogP6.36
TPSA318.67 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001160.71
LogP ≤ 56.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride with MolForge

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Related Compounds

1-N-methyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;methyl 3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoate;3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoic acid
CID 158144490
lithium;bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methyl-3a,7a-dihydroindazol-1-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methane;2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride
CID 157054398
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid
CID 157171796
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride
CID 157202679
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-isocyanopyrazole-5-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-5-carboxylic acid;methane
CID 157260050
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride
CID 157336341
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid
CID 157339408
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride
CID 157431744
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;methane
CID 157938674
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-1-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride
CID 157966963
Sodium;methyl 4-aminobenzoate;methyl 4-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]benzoate;1-methylpiperazine;(4-methylpiperazin-1-yl)-[4-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]methanone;4-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]benzoic acid;hydroxide
CID 158001645
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate
CID 158032408

Frequently Asked Questions

What is the IUPAC name of lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride?
The IUPAC name of lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride (CID 157187940) is lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride.
What is the SMILES notation for lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride?
The canonical SMILES for lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride is COC(=O)c1ccnc(Cn2cc3cc(C)ccc3n2)c1.Cc1cc(N)nc(C)c1CN.Cc1ccc2nn(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)cc2c1.Cc1ccc2nn(Cc3cc(C(=O)O)ccn3)cc2c1.Cl.[Li+].[OH-].
What is the InChIKey of lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride?
The InChIKey is ZRMDGQUDKLPRNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H24N6O.C16H15N3O2.C15H13N3O2.C8H13N3.ClH.Li.H2O/c1-14-4-5-21-18(8-14)12-29(28-21)13-19-10-17(6-7-25-19)23(30)26-11-20-15(2)9-22(24)27-16(20)3;1-11-3-4-15-13(7-11)9-19(18-15)10-14-8-12(5-6-17-14)16(20)21-2;1-10-2-3-14-12(6-10)8-18(17-14)9-13-7-11(15(19)20)4-5-16-13;1-5-3-8(10)11-6(2)7(5)4-9;;;/h4-10,12H,11,13H2,1-3H3,(H2,24,27)(H,26,30);3-9H,10H2,1-2H3;2-8H,9H2,1H3,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H;;1H2/q;;;;;+1;/p-1.
What are the key properties of lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride?
lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride has a molecular weight of 1160.71 g/mol, XLogP of 6.36, 12 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 157187940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).