1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine

C14H11N3O2 — CID 171801448

IUPAC1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine
SMILESCc1ncn2cccc(-c3ccc([N+](=O)[O-])cc3)c12
InChIInChI=1S/C14H11N3O2/c1-10-14-13(3-2-8-16(14)9-15-10)11-4-6-12(7-5-11)17(18)19/h2-9H,1H3
InChIKeyGIZFCZIIFPDGAC-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.22
Rot. Bonds2

About 1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine

1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine (PubChem CID 171801448) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine
PubChem CID171801448
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine
SMILESCc1ncn2cccc(-c3ccc([N+](=O)[O-])cc3)c12
InChIInChI=1S/C14H11N3O2/c1-10-14-13(3-2-8-16(14)9-15-10)11-4-6-12(7-5-11)17(18)19/h2-9H,1H3
InChIKeyGIZFCZIIFPDGAC-UHFFFAOYSA-N
XLogP3.22
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine 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

1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 23316954
2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126530724
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
2-(4-nitrophenyl)-4-azatricyclo[6.4.1.04,13]trideca-1(13),2,5,7-tetraen-9-one
CID 58168686
3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one
CID 10489682
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
1-[1-(4-methylphenyl)-4-(4-nitrophenyl)pyrazol-3-yl]ethanone
CID 16680427
N-methyl-1-nitroimidazo[1,5-a]pyridin-8-amine
CID 83877918
ethanol;1-methyl-4-nitrobenzene
CID 91088173
3-methyl-1-(4-nitrophenyl)-1,2,4-triazole
CID 12877065
3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
CID 10215228

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine (CID 171801448) is 1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine is Cc1ncn2cccc(-c3ccc([N+](=O)[O-])cc3)c12.
What is the InChIKey of 1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine?
The InChIKey is GIZFCZIIFPDGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-10-14-13(3-2-8-16(14)9-15-10)11-4-6-12(7-5-11)17(18)19/h2-9H,1H3.
What are the key properties of 1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine?
1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine has a molecular weight of 253.26 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 171801448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).