lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate

C66H58Cl3LiN12O10 — CID 158425850

IUPAClithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate
SMILESCOC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(OC)nc12.COc1ccc2c(n1)c(C(=O)NCc1c(C)cc(N)nc1C)cn2Cc1ccc2ncc(Cl)cc2c1.COc1ccc2c(n1)c(C(=O)O)cn2Cc1ccc2ncc(Cl)cc2c1.O.[Li+].[OH-]
InChIInChI=1S/C27H25ClN6O2.C20H16ClN3O3.C19H14ClN3O3.Li.2H2O/c1-15-8-24(29)32-16(2)20(15)12-31-27(35)21-14-34(23-6-7-25(36-3)33-26(21)23)13-17-4-5-22-18(9-17)10-19(28)11-30-22;1-26-18-6-5-17-19(23-18)15(20(25)27-2)11-24(17)10-12-3-4-16-13(7-12)8-14(21)9-22-16;1-26-17-5-4-16-18(22-17)14(19(24)25)10-23(16)9-11-2-3-15-12(6-11)7-13(20)8-21-15;;;/h4-11,14H,12-13H2,1-3H3,(H2,29,32)(H,31,35);3-9,11H,10H2,1-2H3;2-8,10H,9H2,1H3,(H,24,25);;2*1H2/q;;;+1;;/p-1
InChIKeyZBVXPTWXDZJZTL-UHFFFAOYSA-M
MW1292.56 g/mol
LogP8.90
Rot. Bonds14

About lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate

lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate (PubChem CID 158425850) has the molecular formula C66H58Cl3LiN12O10 and a molecular weight of 1292.56 g/mol. Its IUPAC name is lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate
PubChem CID158425850
Molecular FormulaC66H58Cl3LiN12O10
Molecular Weight1292.56 g/mol
Exact Mass1290.36
IUPAC Namelithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate
SMILESCOC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(OC)nc12.COc1ccc2c(n1)c(C(=O)NCc1c(C)cc(N)nc1C)cn2Cc1ccc2ncc(Cl)cc2c1.COc1ccc2c(n1)c(C(=O)O)cn2Cc1ccc2ncc(Cl)cc2c1.O.[Li+].[OH-]
InChIInChI=1S/C27H25ClN6O2.C20H16ClN3O3.C19H14ClN3O3.Li.2H2O/c1-15-8-24(29)32-16(2)20(15)12-31-27(35)21-14-34(23-6-7-25(36-3)33-26(21)23)13-17-4-5-22-18(9-17)10-19(28)11-30-22;1-26-18-6-5-17-19(23-18)15(20(25)27-2)11-24(17)10-12-3-4-16-13(7-12)8-14(21)9-22-16;1-26-17-5-4-16-18(22-17)14(19(24)25)10-23(16)9-11-2-3-15-12(6-11)7-13(20)8-21-15;;;/h4-11,14H,12-13H2,1-3H3,(H2,29,32)(H,31,35);3-9,11H,10H2,1-2H3;2-8,10H,9H2,1H3,(H,24,25);;2*1H2/q;;;+1;;/p-1
InChIKeyZBVXPTWXDZJZTL-UHFFFAOYSA-M
XLogP8.90
TPSA312.93 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001292.56
LogP ≤ 58.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate 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]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate?
The IUPAC name of lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate (CID 158425850) is lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate.
What is the SMILES notation for lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate?
The canonical SMILES for lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate is COC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(OC)nc12.COc1ccc2c(n1)c(C(=O)NCc1c(C)cc(N)nc1C)cn2Cc1ccc2ncc(Cl)cc2c1.COc1ccc2c(n1)c(C(=O)O)cn2Cc1ccc2ncc(Cl)cc2c1.O.[Li+].[OH-].
What is the InChIKey of lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate?
The InChIKey is ZBVXPTWXDZJZTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H25ClN6O2.C20H16ClN3O3.C19H14ClN3O3.Li.2H2O/c1-15-8-24(29)32-16(2)20(15)12-31-27(35)21-14-34(23-6-7-25(36-3)33-26(21)23)13-17-4-5-22-18(9-17)10-19(28)11-30-22;1-26-18-6-5-17-19(23-18)15(20(25)27-2)11-24(17)10-12-3-4-16-13(7-12)8-14(21)9-22-16;1-26-17-5-4-16-18(22-17)14(19(24)25)10-23(16)9-11-2-3-15-12(6-11)7-13(20)8-21-15;;;/h4-11,14H,12-13H2,1-3H3,(H2,29,32)(H,31,35);3-9,11H,10H2,1-2H3;2-8,10H,9H2,1H3,(H,24,25);;2*1H2/q;;;+1;;/p-1.
What are the key properties of lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate?
lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate has a molecular weight of 1292.56 g/mol, XLogP of 8.90, 14 rotatable bonds, 3 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]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate;hydroxide;hydrate is sourced from PubChem (CID 158425850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).