lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide

C35H27Br2LiN10O5 — CID 159460123

IUPAClithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide
SMILESCOC(=O)c1nn(-c2cccc(Br)c2)c2ncc(-c3ccn(C)n3)cc12.Cn1ccc(-c2cnc3c(c2)c(C(=O)O)nn3-c2cccc(Br)c2)n1.[Li+].[OH-]
InChIInChI=1S/C18H14BrN5O2.C17H12BrN5O2.Li.H2O/c1-23-7-6-15(21-23)11-8-14-16(18(25)26-2)22-24(17(14)20-10-11)13-5-3-4-12(19)9-13;1-22-6-5-14(20-22)10-7-13-15(17(24)25)21-23(16(13)19-9-10)12-4-2-3-11(18)8-12;;/h3-10H,1-2H3;2-9H,1H3,(H,24,25);;1H2/q;;+1;/p-1
InChIKeyLUMHVWPYPVOJSL-UHFFFAOYSA-M
MW834.41 g/mol
LogP3.48
Rot. Bonds6

About lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide

lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide (PubChem CID 159460123) has the molecular formula C35H27Br2LiN10O5 and a molecular weight of 834.41 g/mol. Its IUPAC name is lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide.

Molecular Properties

Compound Namelithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide
PubChem CID159460123
Molecular FormulaC35H27Br2LiN10O5
Molecular Weight834.41 g/mol
Exact Mass832.07
IUPAC Namelithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide
SMILESCOC(=O)c1nn(-c2cccc(Br)c2)c2ncc(-c3ccn(C)n3)cc12.Cn1ccc(-c2cnc3c(c2)c(C(=O)O)nn3-c2cccc(Br)c2)n1.[Li+].[OH-]
InChIInChI=1S/C18H14BrN5O2.C17H12BrN5O2.Li.H2O/c1-23-7-6-15(21-23)11-8-14-16(18(25)26-2)22-24(17(14)20-10-11)13-5-3-4-12(19)9-13;1-22-6-5-14(20-22)10-7-13-15(17(24)25)21-23(16(13)19-9-10)12-4-2-3-11(18)8-12;;/h3-10H,1-2H3;2-9H,1H3,(H,24,25);;1H2/q;;+1;/p-1
InChIKeyLUMHVWPYPVOJSL-UHFFFAOYSA-M
XLogP3.48
TPSA190.66 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-Bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600248
6-[4-(4-Bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600806
4-(4-Bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328410
4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 71709461
(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate
CID 157429811
2-[3-bromo-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 159296107
(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate
CID 160196422
(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methyl 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate
CID 162115518
5-[7-Amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid
CID 68072107
methyl 5-bromo-1-trityl-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 86701062
Methyl 4-[6-bromo-7-(dimethylamino)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
CID 91010151
5-[6-Bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid
CID 91011303

Frequently Asked Questions

What is the IUPAC name of lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide?
The IUPAC name of lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide (CID 159460123) is lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide.
What is the SMILES notation for lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide?
The canonical SMILES for lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide is COC(=O)c1nn(-c2cccc(Br)c2)c2ncc(-c3ccn(C)n3)cc12.Cn1ccc(-c2cnc3c(c2)c(C(=O)O)nn3-c2cccc(Br)c2)n1.[Li+].[OH-].
What is the InChIKey of lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide?
The InChIKey is LUMHVWPYPVOJSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14BrN5O2.C17H12BrN5O2.Li.H2O/c1-23-7-6-15(21-23)11-8-14-16(18(25)26-2)22-24(17(14)20-10-11)13-5-3-4-12(19)9-13;1-22-6-5-14(20-22)10-7-13-15(17(24)25)21-23(16(13)19-9-10)12-4-2-3-11(18)8-12;;/h3-10H,1-2H3;2-9H,1H3,(H,24,25);;1H2/q;;+1;/p-1.
What are the key properties of lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide?
lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide has a molecular weight of 834.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide is sourced from PubChem (CID 159460123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).