2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine

C17H17N3O2 — CID 82356275

IUPAC2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccccn3c2N=O)cc1C(C)C
InChIInChI=1S/C17H17N3O2/c1-11(2)13-10-12(7-8-14(13)22-3)16-17(19-21)20-9-5-4-6-15(20)18-16/h4-11H,1-3H3
InChIKeyVJMIZJHZNJXTPX-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.53
Rot. Bonds4

About 2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine

2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356275) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356275
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccccn3c2N=O)cc1C(C)C
InChIInChI=1S/C17H17N3O2/c1-11(2)13-10-12(7-8-14(13)22-3)16-17(19-21)20-9-5-4-6-15(20)18-16/h4-11H,1-3H3
InChIKeyVJMIZJHZNJXTPX-UHFFFAOYSA-N
XLogP4.53
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-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

2-(2-methoxyphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356243
2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356222
3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine
CID 82356248
1-methyl-5-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-3H-indol-2-one
CID 82356282
3-(4-methoxy-3-propan-2-ylphenyl)imidazo[1,5-a]pyridine
CID 116836487
2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3753661
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356265
4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one
CID 95967035
6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356749
2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82030337
8-[2-methoxy-4-[[2-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenoxy]-1,3,7-trimethylpurine-2,6-dione
CID 159043728
2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127548

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine (CID 82356275) is 2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine is COc1ccc(-c2nc3ccccn3c2N=O)cc1C(C)C.
What is the InChIKey of 2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is VJMIZJHZNJXTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(2)13-10-12(7-8-14(13)22-3)16-17(19-21)20-9-5-4-6-15(20)18-16/h4-11H,1-3H3.
What are the key properties of 2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 295.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).