(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

C22H23N5OS2 — CID 146482664

IUPAC(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
SMILESC[C@H]1CC2(CCN(c3ncc(Sc4ccnc5ccsc45)c4nccn34)CC2)CO1
InChIInChI=1S/C22H23N5OS2/c1-15-12-22(14-28-15)4-8-26(9-5-22)21-25-13-18(20-24-7-10-27(20)21)30-17-2-6-23-16-3-11-29-19(16)17/h2-3,6-7,10-11,13,15H,4-5,8-9,12,14H2,1H3/t15-/m0/s1
InChIKeyBEOQJGOVDLXTOJ-HNNXBMFYSA-N
MW437.59 g/mol
LogP4.89
Rot. Bonds3

About (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

(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 (PubChem CID 146482664) has the molecular formula C22H23N5OS2 and a molecular weight of 437.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146482664
Molecular FormulaC22H23N5OS2
Molecular Weight437.59 g/mol
Exact Mass437.13
IUPAC Name(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
SMILESC[C@H]1CC2(CCN(c3ncc(Sc4ccnc5ccsc45)c4nccn34)CC2)CO1
InChIInChI=1S/C22H23N5OS2/c1-15-12-22(14-28-15)4-8-26(9-5-22)21-25-13-18(20-24-7-10-27(20)21)30-17-2-6-23-16-3-11-29-19(16)17/h2-3,6-7,10-11,13,15H,4-5,8-9,12,14H2,1H3/t15-/m0/s1
InChIKeyBEOQJGOVDLXTOJ-HNNXBMFYSA-N
XLogP4.89
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(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
(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
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
9-[5-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]
CID 166990272
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
(3S)-8-[8-(2-chloro-3-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
CID 155447996
8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427338
(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
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
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H]1CC2(CCN(c3ncc(Sc4ccnc5ccsc45)c4nccn34)CC2)CO1.
What is the InChIKey of (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?
The InChIKey is BEOQJGOVDLXTOJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N5OS2/c1-15-12-22(14-28-15)4-8-26(9-5-22)21-25-13-18(20-24-7-10-27(20)21)30-17-2-6-23-16-3-11-29-19(16)17/h2-3,6-7,10-11,13,15H,4-5,8-9,12,14H2,1H3/t15-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 437.59 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146482664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).