4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one

C24H25N5OS — CID 146482838

IUPAC4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one
SMILESO=c1cc(Sc2cnc(N3CCC4(CCCC4)CC3)n3ccnc23)c2ccccc2[nH]1
InChIInChI=1S/C24H25N5OS/c30-21-15-19(17-5-1-2-6-18(17)27-21)31-20-16-26-23(29-14-11-25-22(20)29)28-12-9-24(10-13-28)7-3-4-8-24/h1-2,5-6,11,14-16H,3-4,7-10,12-13H2,(H,27,30)
InChIKeyBJERRAZOWLOSPL-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.88
Rot. Bonds3

About 4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one

4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one (PubChem CID 146482838) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one
PubChem CID146482838
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Name4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one
SMILESO=c1cc(Sc2cnc(N3CCC4(CCCC4)CC3)n3ccnc23)c2ccccc2[nH]1
InChIInChI=1S/C24H25N5OS/c30-21-15-19(17-5-1-2-6-18(17)27-21)31-20-16-26-23(29-14-11-25-22(20)29)28-12-9-24(10-13-28)7-3-4-8-24/h1-2,5-6,11,14-16H,3-4,7-10,12-13H2,(H,27,30)
InChIKeyBJERRAZOWLOSPL-UHFFFAOYSA-N
XLogP4.88
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one?
The IUPAC name of 4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one (CID 146482838) is 4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one.
What is the SMILES notation for 4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one?
The canonical SMILES for 4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one is O=c1cc(Sc2cnc(N3CCC4(CCCC4)CC3)n3ccnc23)c2ccccc2[nH]1.
What is the InChIKey of 4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one?
The InChIKey is BJERRAZOWLOSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c30-21-15-19(17-5-1-2-6-18(17)27-21)31-20-16-26-23(29-14-11-25-22(20)29)28-12-9-24(10-13-28)7-3-4-8-24/h1-2,5-6,11,14-16H,3-4,7-10,12-13H2,(H,27,30).
What are the key properties of 4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one?
4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one has a molecular weight of 431.57 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-quinolin-2-one is sourced from PubChem (CID 146482838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).