3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid

C17H15BrN4O2 — CID 159775613

IUPAC3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCc1ccc2c(Br)cnn2c1.Cc1ccc2c(C(=O)O)cnn2c1
InChIInChI=1S/C9H8N2O2.C8H7BrN2/c1-6-2-3-8-7(9(12)13)4-10-11(8)5-6;1-6-2-3-8-7(9)4-10-11(8)5-6/h2-5H,1H3,(H,12,13);2-5H,1H3
InChIKeyNGRUTSFUOVBDEN-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.75
Rot. Bonds1

About 3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid

3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 159775613) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID159775613
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCc1ccc2c(Br)cnn2c1.Cc1ccc2c(C(=O)O)cnn2c1
InChIInChI=1S/C9H8N2O2.C8H7BrN2/c1-6-2-3-8-7(9(12)13)4-10-11(8)5-6;1-6-2-3-8-7(9)4-10-11(8)5-6/h2-5H,1H3,(H,12,13);2-5H,1H3
InChIKeyNGRUTSFUOVBDEN-UHFFFAOYSA-N
XLogP3.75
TPSA71.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 2795462
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
6-[(6-Methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151153
6-[(6-Bromo-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151285
6-[[2-Phenyl-6-(propen-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704838
6-[(2-Phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704827
6-[(6-Acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704843
2-Phenylpyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 12872295
4-(1-(2-bromo-6-fluorobenzyl)-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-fluoro benzoic acid
CID 73296939
4-[1-[(2-Bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
CID 73297114
US9758517, Example 13
CID 136953109
Pyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 11019178

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 159775613) is 3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid is Cc1ccc2c(Br)cnn2c1.Cc1ccc2c(C(=O)O)cnn2c1.
What is the InChIKey of 3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is NGRUTSFUOVBDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.C8H7BrN2/c1-6-2-3-8-7(9(12)13)4-10-11(8)5-6;1-6-2-3-8-7(9)4-10-11(8)5-6/h2-5H,1H3,(H,12,13);2-5H,1H3.
What are the key properties of 3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 387.24 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 159775613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).