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

C20H16ClN3O2S — CID 7338155

IUPAC2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc(Cl)s3)c(Nc3ccc4c(c3)OCCO4)n2c1
InChIInChI=1S/C20H16ClN3O2S/c1-12-2-7-18-23-19(16-5-6-17(21)27-16)20(24(18)11-12)22-13-3-4-14-15(10-13)26-9-8-25-14/h2-7,10-11,22H,8-9H2,1H3
InChIKeyGLTQNNYRACNXNZ-UHFFFAOYSA-N
MW397.89 g/mol
LogP5.54
Rot. Bonds3

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

2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 7338155) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID7338155
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc(Cl)s3)c(Nc3ccc4c(c3)OCCO4)n2c1
InChIInChI=1S/C20H16ClN3O2S/c1-12-2-7-18-23-19(16-5-6-17(21)27-16)20(24(18)11-12)22-13-3-4-14-15(10-13)26-9-8-25-14/h2-7,10-11,22H,8-9H2,1H3
InChIKeyGLTQNNYRACNXNZ-UHFFFAOYSA-N
XLogP5.54
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.89
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine (CID 7338155) is 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine is Cc1ccc2nc(-c3ccc(Cl)s3)c(Nc3ccc4c(c3)OCCO4)n2c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is GLTQNNYRACNXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c1-12-2-7-18-23-19(16-5-6-17(21)27-16)20(24(18)11-12)22-13-3-4-14-15(10-13)26-9-8-25-14/h2-7,10-11,22H,8-9H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine?
2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 397.89 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 7338155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).