methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate

C25H25N5O3S — CID 146482635

IUPACmethyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate
SMILESCOC(=O)c1cccc2c(Sc3cnc(N4CCC5(CCOC5)CC4)n4ccnc34)ccnc12
InChIInChI=1S/C25H25N5O3S/c1-32-23(31)18-4-2-3-17-19(5-9-26-21(17)18)34-20-15-28-24(30-13-10-27-22(20)30)29-11-6-25(7-12-29)8-14-33-16-25/h2-5,9-10,13,15H,6-8,11-12,14,16H2,1H3
InChIKeyJXNCZWYBKMCHIX-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.22
Rot. Bonds4

About methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate

methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate (PubChem CID 146482635) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate
PubChem CID146482635
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Namemethyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate
SMILESCOC(=O)c1cccc2c(Sc3cnc(N4CCC5(CCOC5)CC4)n4ccnc34)ccnc12
InChIInChI=1S/C25H25N5O3S/c1-32-23(31)18-4-2-3-17-19(5-9-26-21(17)18)34-20-15-28-24(30-13-10-27-22(20)30)29-11-6-25(7-12-29)8-14-33-16-25/h2-5,9-10,13,15H,6-8,11-12,14,16H2,1H3
InChIKeyJXNCZWYBKMCHIX-UHFFFAOYSA-N
XLogP4.22
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(4S)-8-[8-(7-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 146535846
tert-butyl N-[(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate
CID 146535886
(3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
CID 146482708
8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427338
tert-butyl N-[(3S,4S)-3-methyl-8-(8-thieno[2,3-b]pyridin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 146535983
[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 155408714
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
4-[5-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-7-carbonitrile
CID 146482854
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
(3S)-3-methyl-8-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decane
CID 146482664
8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427572

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate?
The IUPAC name of methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate (CID 146482635) is methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate.
What is the SMILES notation for methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate?
The canonical SMILES for methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate is COC(=O)c1cccc2c(Sc3cnc(N4CCC5(CCOC5)CC4)n4ccnc34)ccnc12.
What is the InChIKey of methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate?
The InChIKey is JXNCZWYBKMCHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-32-23(31)18-4-2-3-17-19(5-9-26-21(17)18)34-20-15-28-24(30-13-10-27-22(20)30)29-11-6-25(7-12-29)8-14-33-16-25/h2-5,9-10,13,15H,6-8,11-12,14,16H2,1H3.
What are the key properties of methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate?
methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate has a molecular weight of 475.57 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate is sourced from PubChem (CID 146482635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).