N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine

C22H19N3O3 — CID 3205757

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C22H19N3O3/c1-26-17-8-6-16(7-9-17)21-22(25-11-3-2-4-20(25)24-21)23-13-15-5-10-18-19(12-15)28-14-27-18/h2-12,23H,13-14H2,1H3
InChIKeyLHRMYXWTZQESGZ-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.35
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 3205757) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID3205757
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C22H19N3O3/c1-26-17-8-6-16(7-9-17)21-22(25-11-3-2-4-20(25)24-21)23-13-15-5-10-18-19(12-15)28-14-27-18/h2-12,23H,13-14H2,1H3
InChIKeyLHRMYXWTZQESGZ-UHFFFAOYSA-N
XLogP4.35
TPSA57.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine 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

4-(4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)benzamide
CID 4521392
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
N-(2-(1,3-Benzodioxol-5-YL)ethyl)-1-(2-(1H-imidazol-1-YL)-6-methylpyrimidin-4-YL)-D-prolinamide
CID 16115747
Bay 61-3606
CID 10200390
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
Piperazine, 1-(3,4-methylenedioxybenzyl)-4-(2-pyridyl)-
CID 100984
2-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-pyrimidinamine
CID 3234998
(3S)-1-(1,3-Benzodioxol-5-ylmethyl)-3-[4-(1H-imidazol-1-YL)phenoxy]piperidine
CID 11740318
3-{[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-methyl}-4-(2-imidazol-1-yl-pyrimidin-4-yl)-piperazine-1-carboxylic acid methyl ester
CID 10390369
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine (CID 3205757) is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine is COc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is LHRMYXWTZQESGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-26-17-8-6-16(7-9-17)21-22(25-11-3-2-4-20(25)24-21)23-13-15-5-10-18-19(12-15)28-14-27-18/h2-12,23H,13-14H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 373.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3205757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).