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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;hydroxide;hydrochloride

C61H64Cl2LiN15O6 — CID 160769932

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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;hydroxide;hydrochloride
SMILESCOC(=O)c1ccnc(Cn2cc3cc(Cl)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.C15H12ClN3O2.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;1-21-15(20)10-4-5-17-13(7-10)9-19-8-11-6-12(16)2-3-14(11)18-19;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);2-8H,9H2,1H3;2-8H,9H2,1H3,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H;;1H2/q;;;;;+1;/p-1
InChIKeyCVDVZVVBCAXRGC-UHFFFAOYSA-M
MW1181.13 g/mol
LogP6.71
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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;hydroxide;hydrochloride (PubChem CID 160769932) has the molecular formula C61H64Cl2LiN15O6 and a molecular weight of 1181.13 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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;hydroxide;hydrochloride
PubChem CID160769932
Molecular FormulaC61H64Cl2LiN15O6
Molecular Weight1181.13 g/mol
Exact Mass1179.47
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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;hydroxide;hydrochloride
SMILESCOC(=O)c1ccnc(Cn2cc3cc(Cl)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.C15H12ClN3O2.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;1-21-15(20)10-4-5-17-13(7-10)9-19-8-11-6-12(16)2-3-14(11)18-19;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);2-8H,9H2,1H3;2-8H,9H2,1H3,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H;;1H2/q;;;;;+1;/p-1
InChIKeyCVDVZVVBCAXRGC-UHFFFAOYSA-M
XLogP6.71
TPSA318.67 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001181.13
LogP ≤ 56.71
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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;hydroxide;hydrochloride with MolForge

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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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;hydroxide;hydrochloride (CID 160769932) 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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;hydroxide;hydrochloride is COC(=O)c1ccnc(Cn2cc3cc(Cl)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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;hydroxide;hydrochloride?
The InChIKey is CVDVZVVBCAXRGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H24N6O.C15H12ClN3O2.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;1-21-15(20)10-4-5-17-13(7-10)9-19-8-11-6-12(16)2-3-14(11)18-19;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);2-8H,9H2,1H3;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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;hydroxide;hydrochloride has a molecular weight of 1181.13 g/mol, XLogP of 6.71, 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;methyl 2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylate;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;hydroxide;hydrochloride is sourced from PubChem (CID 160769932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).