8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C19H22ClN7S — CID 175751480

IUPAC8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNC1CCCC12CCN(c1ncc(Sc3ccnnc3Cl)c3nccn13)CC2
InChIInChI=1S/C19H22ClN7S/c20-16-13(3-7-24-25-16)28-14-12-23-18(27-11-8-22-17(14)27)26-9-5-19(6-10-26)4-1-2-15(19)21/h3,7-8,11-12,15H,1-2,4-6,9-10,21H2
InChIKeyOODHLMZYYWCROF-UHFFFAOYSA-N
MW415.95 g/mol
LogP3.42
Rot. Bonds3

About 8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 175751480) has the molecular formula C19H22ClN7S and a molecular weight of 415.95 g/mol. Its IUPAC name is 8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID175751480
Molecular FormulaC19H22ClN7S
Molecular Weight415.95 g/mol
Exact Mass415.13
IUPAC Name8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNC1CCCC12CCN(c1ncc(Sc3ccnnc3Cl)c3nccn13)CC2
InChIInChI=1S/C19H22ClN7S/c20-16-13(3-7-24-25-16)28-14-12-23-18(27-11-8-22-17(14)27)26-9-5-19(6-10-26)4-1-2-15(19)21/h3,7-8,11-12,15H,1-2,4-6,9-10,21H2
InChIKeyOODHLMZYYWCROF-UHFFFAOYSA-N
XLogP3.42
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 175751480) is 8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is NC1CCCC12CCN(c1ncc(Sc3ccnnc3Cl)c3nccn13)CC2.
What is the InChIKey of 8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is OODHLMZYYWCROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7S/c20-16-13(3-7-24-25-16)28-14-12-23-18(27-11-8-22-17(14)27)26-9-5-19(6-10-26)4-1-2-15(19)21/h3,7-8,11-12,15H,1-2,4-6,9-10,21H2.
What are the key properties of 8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 415.95 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 175751480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).