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

C20H16ClN3O2S — CID 7338075

IUPAC6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C20H16ClN3O2S/c1-12-2-6-17(27-12)19-20(24-11-13(21)3-7-18(24)23-19)22-14-4-5-15-16(10-14)26-9-8-25-15/h2-7,10-11,22H,8-9H2,1H3
InChIKeyQXTRMNGALGHQBK-UHFFFAOYSA-N
MW397.89 g/mol
LogP5.54
Rot. Bonds3

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

6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 7338075) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID7338075
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC Name6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C20H16ClN3O2S/c1-12-2-6-17(27-12)19-20(24-11-13(21)3-7-18(24)23-19)22-14-4-5-15-16(10-14)26-9-8-25-15/h2-7,10-11,22H,8-9H2,1H3
InChIKeyQXTRMNGALGHQBK-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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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
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)imidazo[1,2-a]pyridin-3-amine
CID 7338023
2-(5-chlorothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 7338058
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
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 7299208

Frequently Asked Questions

What is the IUPAC name of 6-chloro-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 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) is 6-chloro-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 6-chloro-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 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)s1.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is QXTRMNGALGHQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c1-12-2-6-17(27-12)19-20(24-11-13(21)3-7-18(24)23-19)22-14-4-5-15-16(10-14)26-9-8-25-15/h2-7,10-11,22H,8-9H2,1H3.
What are the key properties of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine?
6-chloro-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 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 6-chloro-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 7338075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).