N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine

C23H21N3O2S — CID 15989520

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCSc1ccc(-c2nc3c(C)cccn3c2Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H21N3O2S/c1-15-4-3-11-26-22(15)25-21(16-5-8-18(29-2)9-6-16)23(26)24-17-7-10-19-20(14-17)28-13-12-27-19/h3-11,14,24H,12-13H2,1-2H3
InChIKeySFCQCCCVGXICID-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.55
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 15989520) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID15989520
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCSc1ccc(-c2nc3c(C)cccn3c2Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H21N3O2S/c1-15-4-3-11-26-22(15)25-21(16-5-8-18(29-2)9-6-16)23(26)24-17-7-10-19-20(14-17)28-13-12-27-19/h3-11,14,24H,12-13H2,1-2H3
InChIKeySFCQCCCVGXICID-UHFFFAOYSA-N
XLogP5.55
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 15989520) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine is CSc1ccc(-c2nc3c(C)cccn3c2Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is SFCQCCCVGXICID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-15-4-3-11-26-22(15)25-21(16-5-8-18(29-2)9-6-16)23(26)24-17-7-10-19-20(14-17)28-13-12-27-19/h3-11,14,24H,12-13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 403.51 g/mol, XLogP of 5.55, 4 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)-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 15989520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).