(3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane

C25H27N5O2S — CID 146482708

IUPAC(3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESCOc1ccc2nccc(Sc3cnc(N4CCC5(CC4)CO[C@@H](C)C5)n4ccnc34)c2c1
InChIInChI=1S/C25H27N5O2S/c1-17-14-25(16-32-17)6-10-29(11-7-25)24-28-15-22(23-27-9-12-30(23)24)33-21-5-8-26-20-4-3-18(31-2)13-19(20)21/h3-5,8-9,12-13,15,17H,6-7,10-11,14,16H2,1-2H3/t17-/m0/s1
InChIKeyBRIVQRITAHCQMW-KRWDZBQOSA-N
MW461.59 g/mol
LogP4.83
Rot. Bonds4

About (3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane

(3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 146482708) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is (3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
PubChem CID146482708
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC Name(3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESCOc1ccc2nccc(Sc3cnc(N4CCC5(CC4)CO[C@@H](C)C5)n4ccnc34)c2c1
InChIInChI=1S/C25H27N5O2S/c1-17-14-25(16-32-17)6-10-29(11-7-25)24-28-15-22(23-27-9-12-30(23)24)33-21-5-8-26-20-4-3-18(31-2)13-19(20)21/h3-5,8-9,12-13,15,17H,6-7,10-11,14,16H2,1-2H3/t17-/m0/s1
InChIKeyBRIVQRITAHCQMW-KRWDZBQOSA-N
XLogP4.83
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

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
(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
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
(3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146466982
1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
CID 146482560
3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
CID 139427326
methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate
CID 146482635
8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427338
3-chloro-4-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 146482706
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
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
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 (3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (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) is (3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane is COc1ccc2nccc(Sc3cnc(N4CCC5(CC4)CO[C@@H](C)C5)n4ccnc34)c2c1.
What is the InChIKey of (3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is BRIVQRITAHCQMW-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-17-14-25(16-32-17)6-10-29(11-7-25)24-28-15-22(23-27-9-12-30(23)24)33-21-5-8-26-20-4-3-18(31-2)13-19(20)21/h3-5,8-9,12-13,15,17H,6-7,10-11,14,16H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane?
(3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 461.59 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 146482708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).