2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid

C11H9BrN6O2 — CID 129246813

IUPAC2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(Nc2nc3c(Br)cccn3n2)cn1
InChIInChI=1S/C11H9BrN6O2/c12-8-2-1-3-18-10(8)15-11(16-18)14-7-4-13-17(5-7)6-9(19)20/h1-5H,6H2,(H,14,16)(H,19,20)
InChIKeyRCQOLMZPXNXYGT-UHFFFAOYSA-N
MW337.14 g/mol
LogP1.52
Rot. Bonds4

About 2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid

2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid (PubChem CID 129246813) has the molecular formula C11H9BrN6O2 and a molecular weight of 337.14 g/mol. Its IUPAC name is 2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid
PubChem CID129246813
Molecular FormulaC11H9BrN6O2
Molecular Weight337.14 g/mol
Exact Mass336.00
IUPAC Name2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(Nc2nc3c(Br)cccn3n2)cn1
InChIInChI=1S/C11H9BrN6O2/c12-8-2-1-3-18-10(8)15-11(16-18)14-7-4-13-17(5-7)6-9(19)20/h1-5H,6H2,(H,14,16)(H,19,20)
InChIKeyRCQOLMZPXNXYGT-UHFFFAOYSA-N
XLogP1.52
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide
CID 70929399
4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid
CID 68571866
8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 134363074
2-[4-[(2,6-dibromophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107601737
2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018649
2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethylurea
CID 83112416
2-[4-[[7-(2-ethylbutyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]acetic acid
CID 155272438
2-[4-[[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 129246930
2-[4-[[7-[2-(hydroxymethyl)butyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]acetic acid
CID 175221994
2-[4-[[7-(2-ethyl-3-methylbutyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]acetic acid
CID 155280587
2-[4-[[8-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 129269858
8-bromo-N-[1-[(1-cyclohexyltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;oxetan-3-one;hydrochloride
CID 161395222

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid (CID 129246813) is 2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(Nc2nc3c(Br)cccn3n2)cn1.
What is the InChIKey of 2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is RCQOLMZPXNXYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN6O2/c12-8-2-1-3-18-10(8)15-11(16-18)14-7-4-13-17(5-7)6-9(19)20/h1-5H,6H2,(H,14,16)(H,19,20).
What are the key properties of 2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 337.14 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 129246813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).