(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine

C24H26N6OS — CID 146466868

IUPAC(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5ccccc45)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C24H26N6OS/c1-16-21(25)24(15-31-16)7-11-29(12-8-24)23-28-14-20(22-27-10-13-30(22)23)32-19-6-9-26-18-5-3-2-4-17(18)19/h2-6,9-10,13-14,16,21H,7-8,11-12,15,25H2,1H3/t16-,21+/m0/s1
InChIKeyIZNPQEUSRISJHW-HRAATJIYSA-N
MW446.58 g/mol
LogP3.76
Rot. Bonds3

About (3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 146466868) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is (3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID146466868
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC Name(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5ccccc45)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C24H26N6OS/c1-16-21(25)24(15-31-16)7-11-29(12-8-24)23-28-14-20(22-27-10-13-30(22)23)32-19-6-9-26-18-5-3-2-4-17(18)19/h2-6,9-10,13-14,16,21H,7-8,11-12,15,25H2,1H3/t16-,21+/m0/s1
InChIKeyIZNPQEUSRISJHW-HRAATJIYSA-N
XLogP3.76
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 146466868) is (3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine is C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5ccccc45)c4nccn34)CC2)[C@@H]1N.
What is the InChIKey of (3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is IZNPQEUSRISJHW-HRAATJIYSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-16-21(25)24(15-31-16)7-11-29(12-8-24)23-28-14-20(22-27-10-13-30(22)23)32-19-6-9-26-18-5-3-2-4-17(18)19/h2-6,9-10,13-14,16,21H,7-8,11-12,15,25H2,1H3/t16-,21+/m0/s1.
What are the key properties of (3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine?
(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 446.58 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146466868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).