lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide

C38H33Cl2LiN8O7 — CID 157437563

IUPAClithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide
SMILESC.COC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(OC)nc12.COc1ccc2c(n1)c(C(=O)O)nn2Cc1ccc2ncc(Cl)cc2c1.[Li+].[OH-]
InChIInChI=1S/C19H15ClN4O3.C18H13ClN4O3.CH4.Li.H2O/c1-26-16-6-5-15-17(22-16)18(19(25)27-2)23-24(15)10-11-3-4-14-12(7-11)8-13(20)9-21-14;1-26-15-5-4-14-16(21-15)17(18(24)25)22-23(14)9-10-2-3-13-11(6-10)7-12(19)8-20-13;;;/h3-9H,10H2,1-2H3;2-8H,9H2,1H3,(H,24,25);1H4;;1H2/q;;;+1;/p-1
InChIKeyBRHBIVBUEHFOKH-UHFFFAOYSA-M
MW791.58 g/mol
LogP4.33
Rot. Bonds8

About lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide

lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide (PubChem CID 157437563) has the molecular formula C38H33Cl2LiN8O7 and a molecular weight of 791.58 g/mol. Its IUPAC name is lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide.

Molecular Properties

Compound Namelithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide
PubChem CID157437563
Molecular FormulaC38H33Cl2LiN8O7
Molecular Weight791.58 g/mol
Exact Mass790.20
IUPAC Namelithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide
SMILESC.COC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(OC)nc12.COc1ccc2c(n1)c(C(=O)O)nn2Cc1ccc2ncc(Cl)cc2c1.[Li+].[OH-]
InChIInChI=1S/C19H15ClN4O3.C18H13ClN4O3.CH4.Li.H2O/c1-26-16-6-5-15-17(22-16)18(19(25)27-2)23-24(15)10-11-3-4-14-12(7-11)8-13(20)9-21-14;1-26-15-5-4-14-16(21-15)17(18(24)25)22-23(14)9-10-2-3-13-11(6-10)7-12(19)8-20-13;;;/h3-9H,10H2,1-2H3;2-8H,9H2,1H3,(H,24,25);1H4;;1H2/q;;;+1;/p-1
InChIKeyBRHBIVBUEHFOKH-UHFFFAOYSA-M
XLogP4.33
TPSA199.26 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide?
The IUPAC name of lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide (CID 157437563) is lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide.
What is the SMILES notation for lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide?
The canonical SMILES for lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide is C.COC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(OC)nc12.COc1ccc2c(n1)c(C(=O)O)nn2Cc1ccc2ncc(Cl)cc2c1.[Li+].[OH-].
What is the InChIKey of lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide?
The InChIKey is BRHBIVBUEHFOKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15ClN4O3.C18H13ClN4O3.CH4.Li.H2O/c1-26-16-6-5-15-17(22-16)18(19(25)27-2)23-24(15)10-11-3-4-14-12(7-11)8-13(20)9-21-14;1-26-15-5-4-14-16(21-15)17(18(24)25)22-23(14)9-10-2-3-13-11(6-10)7-12(19)8-20-13;;;/h3-9H,10H2,1-2H3;2-8H,9H2,1H3,(H,24,25);1H4;;1H2/q;;;+1;/p-1.
What are the key properties of lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide?
lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide has a molecular weight of 791.58 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylate;hydroxide is sourced from PubChem (CID 157437563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).