N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine

C21H19N3O2S — CID 15993376

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(C)s3)nc2c1
InChIInChI=1S/C21H19N3O2S/c1-13-7-8-24-19(11-13)23-20(18-6-3-14(2)27-18)21(24)22-15-4-5-16-17(12-15)26-10-9-25-16/h3-8,11-12,22H,9-10H2,1-2H3
InChIKeyLRYPZBSEVQEAOM-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.19
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 15993376) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID15993376
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(C)s3)nc2c1
InChIInChI=1S/C21H19N3O2S/c1-13-7-8-24-19(11-13)23-20(18-6-3-14(2)27-18)21(24)22-15-4-5-16-17(12-15)26-10-9-25-16/h3-8,11-12,22H,9-10H2,1-2H3
InChIKeyLRYPZBSEVQEAOM-UHFFFAOYSA-N
XLogP5.19
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.19
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)-7-methyl-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)-7-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 15993376) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-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)-7-methyl-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)-7-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(C)s3)nc2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is LRYPZBSEVQEAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-13-7-8-24-19(11-13)23-20(18-6-3-14(2)27-18)21(24)22-15-4-5-16-17(12-15)26-10-9-25-16/h3-8,11-12,22H,9-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 377.47 g/mol, XLogP of 5.19, 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)-7-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 15993376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).