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

C19H14ClN3O2S — CID 7338023

IUPAC2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C19H14ClN3O2S/c20-16-7-6-15(26-16)18-19(23-8-2-1-3-17(23)22-18)21-12-4-5-13-14(11-12)25-10-9-24-13/h1-8,11,21H,9-10H2
InChIKeyDLXMFWDTGFCJGY-UHFFFAOYSA-N
MW383.86 g/mol
LogP5.23
Rot. Bonds3

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

2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 7338023) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID7338023
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C19H14ClN3O2S/c20-16-7-6-15(26-16)18-19(23-8-2-1-3-17(23)22-18)21-12-4-5-13-14(11-12)25-10-9-24-13/h1-8,11,21H,9-10H2
InChIKeyDLXMFWDTGFCJGY-UHFFFAOYSA-N
XLogP5.23
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.86
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-chloro-2-(2-pyridinyl)-3-imidazo[1,2-a]pyridinamine
CID 4326877
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 7338074
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 4447336
2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 5240344
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 7066953
2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 7338058
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 7338075
2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 7338152
2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 7338155
N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-8-methyl-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-A]pyridin-3-amine
CID 15989520
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
3-thiophen-3-yl-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 44527176

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine (CID 7338023) is 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[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)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine is Clc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is DLXMFWDTGFCJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c20-16-7-6-15(26-16)18-19(23-8-2-1-3-17(23)22-18)21-12-4-5-13-14(11-12)25-10-9-24-13/h1-8,11,21H,9-10H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine?
2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 383.86 g/mol, XLogP of 5.23, 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)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 7338023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).