8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane

C21H24ClN5S — CID 139427338

About 8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane

8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane (PubChem CID 139427338) has the molecular formula C21H24ClN5S and a molecular weight of 413.98 g/mol. Its IUPAC name is 8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: 8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
• PubChem CID: 139427338
• Molecular Formula: C21H24ClN5S
• Molecular Weight: 413.98 g/mol
• Exact Mass: 413.14
• IUPAC Name: 8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
• SMILES: Cc1nccc(Sc2cnc(N3CCC4(CCCC4)CC3)n3ccnc23)c1Cl
• InChI: InChI=1S/C21H24ClN5S/c1-15-18(22)16(4-9-23-15)28-17-14-25-20(27-13-10-24-19(17)27)26-11-7-21(8-12-26)5-2-3-6-21/h4,9-10,13-14H,2-3,5-8,11-12H2,1H3
• InChIKey: IEXKGPXBFNWCHC-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 46.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.98
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane?

The IUPAC name of 8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane (CID 139427338) is 8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane.

What is the SMILES notation for 8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane?

The canonical SMILES for 8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane is Cc1nccc(Sc2cnc(N3CCC4(CCCC4)CC3)n3ccnc23)c1Cl.

What is the InChIKey of 8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane?

The InChIKey is IEXKGPXBFNWCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5S/c1-15-18(22)16(4-9-23-15)28-17-14-25-20(27-13-10-24-19(17)27)26-11-7-21(8-12-26)5-2-3-6-21/h4,9-10,13-14H,2-3,5-8,11-12H2,1H3.

What are the key properties of 8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane?

8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane has a molecular weight of 413.98 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 139427338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).