8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane

C21H23ClN4S — CID 139427572

IUPAC8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
SMILESClc1ccccc1Sc1cnc(N2CCC3(CCCC3)CC2)n2ccnc12
InChIInChI=1S/C21H23ClN4S/c22-16-5-1-2-6-17(16)27-18-15-24-20(26-14-11-23-19(18)26)25-12-9-21(10-13-25)7-3-4-8-21/h1-2,5-6,11,14-15H,3-4,7-10,12-13H2
InChIKeyVNELCCAEPVVYNC-UHFFFAOYSA-N
MW398.96 g/mol
LogP5.69
Rot. Bonds3

About 8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane

8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane (PubChem CID 139427572) has the molecular formula C21H23ClN4S and a molecular weight of 398.96 g/mol. Its IUPAC name is 8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
PubChem CID139427572
Molecular FormulaC21H23ClN4S
Molecular Weight398.96 g/mol
Exact Mass398.13
IUPAC Name8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
SMILESClc1ccccc1Sc1cnc(N2CCC3(CCCC3)CC2)n2ccnc12
InChIInChI=1S/C21H23ClN4S/c22-16-5-1-2-6-17(16)27-18-15-24-20(26-14-11-23-19(18)26)25-12-9-21(10-13-25)7-3-4-8-21/h1-2,5-6,11,14-15H,3-4,7-10,12-13H2
InChIKeyVNELCCAEPVVYNC-UHFFFAOYSA-N
XLogP5.69
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.96
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane 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

8-[8-[(2-chloro-3-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427411
8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427338
N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide
CID 155420753
4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one
CID 146482838
3-chloro-4-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 146482706
3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 155129621
[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 155408714
(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146466979
(4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427633
CID 174094778
CID 174094778
1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine
CID 158134532
(3S)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
CID 139427196

Frequently Asked Questions

What is the IUPAC name of 8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane?
The IUPAC name of 8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane (CID 139427572) is 8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane is Clc1ccccc1Sc1cnc(N2CCC3(CCCC3)CC2)n2ccnc12.
What is the InChIKey of 8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane?
The InChIKey is VNELCCAEPVVYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4S/c22-16-5-1-2-6-17(16)27-18-15-24-20(26-14-11-23-19(18)26)25-12-9-21(10-13-25)7-3-4-8-21/h1-2,5-6,11,14-15H,3-4,7-10,12-13H2.
What are the key properties of 8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane?
8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane has a molecular weight of 398.96 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 139427572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).