2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid

C11H8N4O2 — CID 82288178

IUPAC2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(-c2cc[nH]c2)nc2ncccn12
InChIInChI=1S/C11H8N4O2/c16-10(17)9-8(7-2-4-12-6-7)14-11-13-3-1-5-15(9)11/h1-6,12H,(H,16,17)
InChIKeyUMJLMLIYCJLUTR-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.42
Rot. Bonds2

About 2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid

2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 82288178) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID82288178
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(-c2cc[nH]c2)nc2ncccn12
InChIInChI=1S/C11H8N4O2/c16-10(17)9-8(7-2-4-12-6-7)14-11-13-3-1-5-15(9)11/h1-6,12H,(H,16,17)
InChIKeyUMJLMLIYCJLUTR-UHFFFAOYSA-N
XLogP1.42
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid 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

2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 155291153
N,2-bis(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71554419
2-propylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 115405202
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid
CID 58752258
2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid
CID 82304788
6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 113303483
1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone
CID 84671493
N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553723
2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553637
2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553290
ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine-3-carbonyl]-methylamino]benzoate
CID 118045047
3-(1H-pyrrol-3-yl)pyridine-2-carboxamide
CID 118165857

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid (CID 82288178) is 2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid is O=C(O)c1c(-c2cc[nH]c2)nc2ncccn12.
What is the InChIKey of 2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is UMJLMLIYCJLUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c16-10(17)9-8(7-2-4-12-6-7)14-11-13-3-1-5-15(9)11/h1-6,12H,(H,16,17).
What are the key properties of 2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid?
2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 228.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 82288178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).