1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one

C25H20Cl2N4OS — CID 146482526

About 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one

1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one (PubChem CID 146482526) has the molecular formula C25H20Cl2N4OS and a molecular weight of 495.44 g/mol. Its IUPAC name is 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one.

Molecular Properties

• Compound Name: 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one
• PubChem CID: 146482526
• Molecular Formula: C25H20Cl2N4OS
• Molecular Weight: 495.44 g/mol
• Exact Mass: 494.07
• IUPAC Name: 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one
• SMILES: O=C1c2ccccc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
• InChI: InChI=1S/C25H20Cl2N4OS/c26-18-6-3-7-19(21(18)27)33-20-15-29-24(31-13-10-28-23(20)31)30-11-8-25(9-12-30)14-16-4-1-2-5-17(16)22(25)32/h1-7,10,13,15H,8-9,11-12,14H2
• InChIKey: NFIPDCUPTFLTKL-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 50.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.44
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one?

The IUPAC name of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one (CID 146482526) is 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one.

What is the SMILES notation for 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one?

The canonical SMILES for 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one is O=C1c2ccccc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.

What is the InChIKey of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one?

The InChIKey is NFIPDCUPTFLTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4OS/c26-18-6-3-7-19(21(18)27)33-20-15-29-24(31-13-10-28-23(20)31)30-11-8-25(9-12-30)14-16-4-1-2-5-17(16)22(25)32/h1-7,10,13,15H,8-9,11-12,14H2.

What are the key properties of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one?

1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one has a molecular weight of 495.44 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one is sourced from PubChem (CID 146482526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).