4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C17H12N6O2 — CID 58278225

IUPAC4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1
InChIInChI=1S/C17H12N6O2/c18-17-19-8-7-13(20-17)16-15(21-14-6-1-2-9-22(14)16)11-4-3-5-12(10-11)23(24)25/h1-10H,(H2,18,19,20)
InChIKeyQFOMIIDLPYHIDN-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.95
Rot. Bonds3

About 4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 58278225) has the molecular formula C17H12N6O2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID58278225
Molecular FormulaC17H12N6O2
Molecular Weight332.32 g/mol
Exact Mass332.10
IUPAC Name4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1
InChIInChI=1S/C17H12N6O2/c18-17-19-8-7-13(20-17)16-15(21-14-6-1-2-9-22(14)16)11-4-3-5-12(10-11)23(24)25/h1-10H,(H2,18,19,20)
InChIKeyQFOMIIDLPYHIDN-UHFFFAOYSA-N
XLogP2.95
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58278215
3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 122403866
2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 2760202
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908083
2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine
CID 57338731
carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium
CID 159407397
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 91398479
1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 1124710
5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine
CID 10331419
4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
CID 12990785

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 58278225) is 4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is Nc1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1.
What is the InChIKey of 4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is QFOMIIDLPYHIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2/c18-17-19-8-7-13(20-17)16-15(21-14-6-1-2-9-22(14)16)11-4-3-5-12(10-11)23(24)25/h1-10H,(H2,18,19,20).
What are the key properties of 4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 332.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 58278225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).