N-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine

C22H19N3O2S — CID 7338727

IUPACN-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCSc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C22H19N3O2S/c1-14-4-3-5-20-24-21(15-6-9-17(28-2)10-7-15)22(25(14)20)23-16-8-11-18-19(12-16)27-13-26-18/h3-12,23H,13H2,1-2H3
InChIKeyWHOPRUXVSZZWDQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.50
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine

N-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 7338727) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID7338727
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCSc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C22H19N3O2S/c1-14-4-3-5-20-24-21(15-6-9-17(28-2)10-7-15)22(25(14)20)23-16-8-11-18-19(12-16)27-13-26-18/h3-12,23H,13H2,1-2H3
InChIKeyWHOPRUXVSZZWDQ-UHFFFAOYSA-N
XLogP5.50
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[3-(1,3-benzodioxol-5-ylamino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 45488686
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]-7-methylimidazo[1,2-a]pyridin-3-amine
CID 7338711
4-[3-(1,3-Benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 7338736
4-[3-(1,3-Benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 16020398
N-(benzo[d][1,3]dioxol-5-yl)-2-((5-phenyl-2-(m-tolyl)-1H-imidazol-4-yl)thio)acetamide
CID 2134672
N-(1,3-benzodioxol-5-yl)-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
CID 2134674
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-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 5309877
N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 7299199
N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-imidazo[1,2-a]pyrazinamine
CID 9550691
N-1,3-benzodioxol-5-yl-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 12004827
N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-8-methyl-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-A]pyridin-3-amine
CID 15989520

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 7338727) is N-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine is CSc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is WHOPRUXVSZZWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-14-4-3-5-20-24-21(15-6-9-17(28-2)10-7-15)22(25(14)20)23-16-8-11-18-19(12-16)27-13-26-18/h3-12,23H,13H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine?
N-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 389.48 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 7338727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).