1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine

C18H19Cl2N5S — CID 164743576

IUPAC1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C18H19Cl2N5S/c1-18(21)5-8-24(9-6-18)14-11-23-17(16-22-7-10-25(14)16)26-13-4-2-3-12(19)15(13)20/h2-4,7,10-11H,5-6,8-9,21H2,1H3
InChIKeyQCRMTUPJBVNRIL-UHFFFAOYSA-N
MW408.36 g/mol
LogP4.50
Rot. Bonds3

About 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine

1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine (PubChem CID 164743576) has the molecular formula C18H19Cl2N5S and a molecular weight of 408.36 g/mol. Its IUPAC name is 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine
PubChem CID164743576
Molecular FormulaC18H19Cl2N5S
Molecular Weight408.36 g/mol
Exact Mass407.07
IUPAC Name1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C18H19Cl2N5S/c1-18(21)5-8-24(9-6-18)14-11-23-17(16-22-7-10-25(14)16)26-13-4-2-3-12(19)15(13)20/h2-4,7,10-11H,5-6,8-9,21H2,1H3
InChIKeyQCRMTUPJBVNRIL-UHFFFAOYSA-N
XLogP4.50
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine (CID 164743576) is 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1.
What is the InChIKey of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine?
The InChIKey is QCRMTUPJBVNRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5S/c1-18(21)5-8-24(9-6-18)14-11-23-17(16-22-7-10-25(14)16)26-13-4-2-3-12(19)15(13)20/h2-4,7,10-11H,5-6,8-9,21H2,1H3.
What are the key properties of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine?
1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine has a molecular weight of 408.36 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 164743576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).