2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

C11H7BrN4O2 — CID 54980142

IUPAC2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-n2cc(Br)cn2)nc2ccccn12
InChIInChI=1S/C11H7BrN4O2/c12-7-5-13-16(6-7)10-9(11(17)18)15-4-2-1-3-8(15)14-10/h1-6H,(H,17,18)
InChIKeyDMRHSTQPCUUGSV-UHFFFAOYSA-N
MW307.11 g/mol
LogP1.98
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 54980142) has the molecular formula C11H7BrN4O2 and a molecular weight of 307.11 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID54980142
Molecular FormulaC11H7BrN4O2
Molecular Weight307.11 g/mol
Exact Mass305.98
IUPAC Name2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-n2cc(Br)cn2)nc2ccccn12
InChIInChI=1S/C11H7BrN4O2/c12-7-5-13-16(6-7)10-9(11(17)18)15-4-2-1-3-8(15)14-10/h1-6H,(H,17,18)
InChIKeyDMRHSTQPCUUGSV-UHFFFAOYSA-N
XLogP1.98
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 54909886
[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 54909750
2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477915
1-[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63815908
2-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477803
2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 66083555
2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63163885
2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61227192
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 106314441
2-(2-carbamoylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477869
3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine
CID 54909540
2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43584666

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 54980142) is 2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(-n2cc(Br)cn2)nc2ccccn12.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is DMRHSTQPCUUGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4O2/c12-7-5-13-16(6-7)10-9(11(17)18)15-4-2-1-3-8(15)14-10/h1-6H,(H,17,18).
What are the key properties of 2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 307.11 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 54980142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).