5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid

C15H10BrFN4O2 — CID 70979559

IUPAC5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid
SMILESNc1nccc(-c2cc(C(=O)O)c(-c3cc(Br)ccc3F)[nH]2)n1
InChIInChI=1S/C15H10BrFN4O2/c16-7-1-2-10(17)8(5-7)13-9(14(22)23)6-12(20-13)11-3-4-19-15(18)21-11/h1-6,20H,(H,22,23)(H2,18,19,21)
InChIKeyNVCXCLUBUNXHTB-UHFFFAOYSA-N
MW377.17 g/mol
LogP3.32
Rot. Bonds3

About 5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid

5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid (PubChem CID 70979559) has the molecular formula C15H10BrFN4O2 and a molecular weight of 377.17 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid
PubChem CID70979559
Molecular FormulaC15H10BrFN4O2
Molecular Weight377.17 g/mol
Exact Mass376.00
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid
SMILESNc1nccc(-c2cc(C(=O)O)c(-c3cc(Br)ccc3F)[nH]2)n1
InChIInChI=1S/C15H10BrFN4O2/c16-7-1-2-10(17)8(5-7)13-9(14(22)23)6-12(20-13)11-3-4-19-15(18)21-11/h1-6,20H,(H,22,23)(H2,18,19,21)
InChIKeyNVCXCLUBUNXHTB-UHFFFAOYSA-N
XLogP3.32
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.17
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-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

5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methoxyphenyl)-1H-pyrrole-3-carboxylic acid
CID 141428963
5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide;sulfuric acid
CID 52939598
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide
CID 66571200
5-[2-amino-5-[2-(4-bromo-2-fluorophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71498503
2-[5-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1H-pyrrol-3-yl]benzamide
CID 175261561
ethyl 5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxylate
CID 68947362
6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 82973284
5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 24809837
2-[5-(2-aminopyrimidin-4-yl)-2-(2-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]benzamide;hydrochloride
CID 175272229
2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid
CID 116899938
4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine
CID 71042713
5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521302

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid (CID 70979559) is 5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid is Nc1nccc(-c2cc(C(=O)O)c(-c3cc(Br)ccc3F)[nH]2)n1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is NVCXCLUBUNXHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN4O2/c16-7-1-2-10(17)8(5-7)13-9(14(22)23)6-12(20-13)11-3-4-19-15(18)21-11/h1-6,20H,(H,22,23)(H2,18,19,21).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid?
5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 377.17 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 70979559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).