4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C15H12BrN3O2 — CID 134085818

IUPAC4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(C)c2nc(C(=O)O)cc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C15H12BrN3O2/c1-8-13-11(9-3-5-10(16)6-4-9)7-12(15(20)21)17-14(13)19(2)18-8/h3-7H,1-2H3,(H,20,21)
InChIKeyKAUGKGLPSHJRGW-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.40
Rot. Bonds2

About 4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 134085818) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID134085818
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(C)c2nc(C(=O)O)cc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C15H12BrN3O2/c1-8-13-11(9-3-5-10(16)6-4-9)7-12(15(20)21)17-14(13)19(2)18-8/h3-7H,1-2H3,(H,20,21)
InChIKeyKAUGKGLPSHJRGW-UHFFFAOYSA-N
XLogP3.40
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-trimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 84673110
4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 134085650
1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine
CID 134120564
1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743142
4-[4-(4-acetylpiperazin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743323
4-[4-[4-(cyanomethyl)piperazin-1-yl]phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743735
2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62745549
1-cyclohexyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741501
7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84609529
(2R)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 94079192
3-methyl-4-[4-(oxan-4-ylamino)phenyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743471
8,16-bis(4-bromophenyl)-5,13-dimethyl-3,11-diphenyl-4,5,7,12,13,15-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),2(6),3,7,10(14),11,15-heptaene
CID 71697009

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 134085818) is 4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(C)c2nc(C(=O)O)cc(-c3ccc(Br)cc3)c12.
What is the InChIKey of 4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is KAUGKGLPSHJRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-8-13-11(9-3-5-10(16)6-4-9)7-12(15(20)21)17-14(13)19(2)18-8/h3-7H,1-2H3,(H,20,21).
What are the key properties of 4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 346.18 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 134085818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).