N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide

C21H15N3O3 — CID 7214219

IUPACN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H15N3O3/c25-21(15-6-9-18-19(11-15)27-13-26-18)22-16-7-4-14(5-8-16)17-12-24-10-2-1-3-20(24)23-17/h1-12H,13H2,(H,22,25)
InChIKeyWFCDKBBPAIGQJA-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.98
Rot. Bonds3

About N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide

N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 7214219) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID7214219
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC NameN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H15N3O3/c25-21(15-6-9-18-19(11-15)27-13-26-18)22-16-7-4-14(5-8-16)17-12-24-10-2-1-3-20(24)23-17/h1-12H,13H2,(H,22,25)
InChIKeyWFCDKBBPAIGQJA-UHFFFAOYSA-N
XLogP3.98
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide 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

3-(dimethylamino)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 41451744
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide
CID 41451970
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18139273
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 24661435
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 122322778
2-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 3763346
N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 42939704
4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 122284100
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110743272
3,4-difluoro-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 122283315
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 121089744

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide (CID 7214219) is N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is WFCDKBBPAIGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-21(15-6-9-18-19(11-15)27-13-26-18)22-16-7-4-14(5-8-16)17-12-24-10-2-1-3-20(24)23-17/h1-12H,13H2,(H,22,25).
What are the key properties of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide?
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7214219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).