8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C21H23Cl2N5OS — CID 164743732

IUPAC8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCC1OCC2(CCN(c3cnc(Sc4cccc(Cl)c4Cl)c4nccn34)CC2)C1N
InChIInChI=1S/C21H23Cl2N5OS/c1-13-18(24)21(12-29-13)5-8-27(9-6-21)16-11-26-20(19-25-7-10-28(16)19)30-15-4-2-3-14(22)17(15)23/h2-4,7,10-11,13,18H,5-6,8-9,12,24H2,1H3
InChIKeyNLTNICPZLJUIPY-UHFFFAOYSA-N
MW464.42 g/mol
LogP4.52
Rot. Bonds3

About 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 164743732) has the molecular formula C21H23Cl2N5OS and a molecular weight of 464.42 g/mol. Its IUPAC name is 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID164743732
Molecular FormulaC21H23Cl2N5OS
Molecular Weight464.42 g/mol
Exact Mass463.10
IUPAC Name8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCC1OCC2(CCN(c3cnc(Sc4cccc(Cl)c4Cl)c4nccn34)CC2)C1N
InChIInChI=1S/C21H23Cl2N5OS/c1-13-18(24)21(12-29-13)5-8-27(9-6-21)16-11-26-20(19-25-7-10-28(16)19)30-15-4-2-3-14(22)17(15)23/h2-4,7,10-11,13,18H,5-6,8-9,12,24H2,1H3
InChIKeyNLTNICPZLJUIPY-UHFFFAOYSA-N
XLogP4.52
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 164743732) is 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is CC1OCC2(CCN(c3cnc(Sc4cccc(Cl)c4Cl)c4nccn34)CC2)C1N.
What is the InChIKey of 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is NLTNICPZLJUIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5OS/c1-13-18(24)21(12-29-13)5-8-27(9-6-21)16-11-26-20(19-25-7-10-28(16)19)30-15-4-2-3-14(22)17(15)23/h2-4,7,10-11,13,18H,5-6,8-9,12,24H2,1H3.
What are the key properties of 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 464.42 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 164743732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).