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

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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).