N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride

C20H18ClN3O2S — CID 163329459

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
SMILESCc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccsc3)nc2c1.Cl
InChIInChI=1S/C20H17N3O2S.ClH/c1-13-4-6-23-18(10-13)22-19(14-5-9-26-12-14)20(23)21-15-2-3-16-17(11-15)25-8-7-24-16;/h2-6,9-12,21H,7-8H2,1H3;1H
InChIKeyYMXLUHBYLQBUKH-UHFFFAOYSA-N
MW399.90 g/mol
LogP5.31
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride (PubChem CID 163329459) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
PubChem CID163329459
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
SMILESCc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccsc3)nc2c1.Cl
InChIInChI=1S/C20H17N3O2S.ClH/c1-13-4-6-23-18(10-13)22-19(14-5-9-26-12-14)20(23)21-15-2-3-16-17(11-15)25-8-7-24-16;/h2-6,9-12,21H,7-8H2,1H3;1H
InChIKeyYMXLUHBYLQBUKH-UHFFFAOYSA-N
XLogP5.31
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.90
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
CID 4059941
[4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium
CID 123546918
4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 7338736
N-(4-chlorophenyl)-7-methyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 7337996
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 25115179
4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135482448
2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 5206181
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 7299187
2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
CID 15990318
N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 15995780
4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]benzene-1,2-diol
CID 102594430
2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 25117011

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride (CID 163329459) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride is Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccsc3)nc2c1.Cl.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride?
The InChIKey is YMXLUHBYLQBUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S.ClH/c1-13-4-6-23-18(10-13)22-19(14-5-9-26-12-14)20(23)21-15-2-3-16-17(11-15)25-8-7-24-16;/h2-6,9-12,21H,7-8H2,1H3;1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride has a molecular weight of 399.90 g/mol, XLogP of 5.31, 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-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 163329459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).