(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

C24H25ClN6OS — CID 146466982

IUPAC(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
SMILESC[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5cc(Cl)ccc45)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C24H25ClN6OS/c1-15-21(26)24(14-32-15)5-9-30(10-6-24)23-29-13-20(22-28-8-11-31(22)23)33-19-4-7-27-18-12-16(25)2-3-17(18)19/h2-4,7-8,11-13,15,21H,5-6,9-10,14,26H2,1H3/t15-,21+/m0/s1
InChIKeyHLFCOYSDVXDWLN-YCRPNKLZSA-N
MW481.03 g/mol
LogP4.41
Rot. Bonds3

About (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

(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 (PubChem CID 146466982) has the molecular formula C24H25ClN6OS and a molecular weight of 481.03 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146466982
Molecular FormulaC24H25ClN6OS
Molecular Weight481.03 g/mol
Exact Mass480.15
IUPAC Name(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
SMILESC[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5cc(Cl)ccc45)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C24H25ClN6OS/c1-15-21(26)24(14-32-15)5-9-30(10-6-24)23-29-13-20(22-28-8-11-31(22)23)33-19-4-7-27-18-12-16(25)2-3-17(18)19/h2-4,7-8,11-13,15,21H,5-6,9-10,14,26H2,1H3/t15-,21+/m0/s1
InChIKeyHLFCOYSDVXDWLN-YCRPNKLZSA-N
XLogP4.41
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.03
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

Shp2/cdk4-IN-1
CID 164887497
(3S,4S)-8-[5-[[3-chloro-6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 168271164
(3S,4S)-8-[5-[[3-chloro-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 168274583
(3S,4S)-8-[5-[[4-chloro-6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 168275852
(3S,4S)-8-[5-[[2-chloro-6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 168289279
(3S,4S)-8-[5-[2-chloro-4-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]sulfanylpyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 168292284
(3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146485752
7-chloro-N-[3-(2-chloro-6-morpholin-4-ylpurin-9-yl)propyl]quinolin-4-amine
CID 137654653
7-chloro-N-[2-(2-chloro-6-morpholin-4-ylpurin-9-yl)ethyl]quinolin-4-amine
CID 137659813
(3S,4S)-8-[6-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-methyl-2-oxaspiro[4.5]decan-4-amine
CID 162649111
(3S,4S)-8-[5-[[5-chloro-2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 168278519
US11179397, Example 115
CID 146466942

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5cc(Cl)ccc45)c4nccn34)CC2)[C@@H]1N.
What is the InChIKey of (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?
The InChIKey is HLFCOYSDVXDWLN-YCRPNKLZSA-N. The full InChI is InChI=1S/C24H25ClN6OS/c1-15-21(26)24(14-32-15)5-9-30(10-6-24)23-29-13-20(22-28-8-11-31(22)23)33-19-4-7-27-18-12-16(25)2-3-17(18)19/h2-4,7-8,11-13,15,21H,5-6,9-10,14,26H2,1H3/t15-,21+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 481.03 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146466982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).