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

C21H23Cl2N5S — CID 164743569

IUPAC8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNC1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C21H23Cl2N5S/c22-14-3-1-4-15(18(14)23)29-20-19-25-9-12-28(19)17(13-26-20)27-10-7-21(8-11-27)6-2-5-16(21)24/h1,3-4,9,12-13,16H,2,5-8,10-11,24H2
InChIKeyMCFJRQAPPGOTDI-UHFFFAOYSA-N
MW448.42 g/mol
LogP5.29
Rot. Bonds3

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

8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 164743569) has the molecular formula C21H23Cl2N5S and a molecular weight of 448.42 g/mol. Its IUPAC name is 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID164743569
Molecular FormulaC21H23Cl2N5S
Molecular Weight448.42 g/mol
Exact Mass447.11
IUPAC Name8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNC1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C21H23Cl2N5S/c22-14-3-1-4-15(18(14)23)29-20-19-25-9-12-28(19)17(13-26-20)27-10-7-21(8-11-27)6-2-5-16(21)24/h1,3-4,9,12-13,16H,2,5-8,10-11,24H2
InChIKeyMCFJRQAPPGOTDI-UHFFFAOYSA-N
XLogP5.29
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine
CID 164743576
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
(4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427633
(4R)-8-[6-(aminomethyl)-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 134182847
(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;methane
CID 159089252
(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 146466905
(11R)-3-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-azaspiro[5.5]undecan-11-amine
CID 151600041
(4R)-8-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 146485729
8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743853
8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 175751480
(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.5]nonan-3-amine
CID 126480853
(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-imino-1-methanimidoylpyrimidin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427669

Frequently Asked Questions

What is the IUPAC name of 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 164743569) is 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine is NC1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is MCFJRQAPPGOTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5S/c22-14-3-1-4-15(18(14)23)29-20-19-25-9-12-28(19)17(13-26-20)27-10-7-21(8-11-27)6-2-5-16(21)24/h1,3-4,9,12-13,16H,2,5-8,10-11,24H2.
What are the key properties of 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine?
8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 448.42 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 164743569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).