N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine

C20H17N3O2S — CID 7066953

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C20H17N3O2S/c1-13-5-8-17(26-13)19-20(23-9-3-2-4-18(23)22-19)21-14-6-7-15-16(12-14)25-11-10-24-15/h2-9,12,21H,10-11H2,1H3
InChIKeyMTOCXRIUZQVVSY-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.89
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 7066953) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID7066953
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C20H17N3O2S/c1-13-5-8-17(26-13)19-20(23-9-3-2-4-18(23)22-19)21-14-6-7-15-16(12-14)25-11-10-24-15/h2-9,12,21H,10-11H2,1H3
InChIKeyMTOCXRIUZQVVSY-UHFFFAOYSA-N
XLogP4.89
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 7066953) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)s1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is MTOCXRIUZQVVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-5-8-17(26-13)19-20(23-9-3-2-4-18(23)22-19)21-14-6-7-15-16(12-14)25-11-10-24-15/h2-9,12,21H,10-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 363.44 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 7066953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).