N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide

C22H24ClN5OS — CID 155420753

About N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide

N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide (PubChem CID 155420753) has the molecular formula C22H24ClN5OS and a molecular weight of 441.99 g/mol. Its IUPAC name is N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide.

Molecular Properties

• Compound Name: N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide
• PubChem CID: 155420753
• Molecular Formula: C22H24ClN5OS
• Molecular Weight: 441.99 g/mol
• Exact Mass: 441.14
• IUPAC Name: N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide
• SMILES: O=CNc1cccc(Sc2cnc(N3CCC4(CCCC4)CC3)n3ccnc23)c1Cl
• InChI: InChI=1S/C22H24ClN5OS/c23-19-16(26-15-29)4-3-5-17(19)30-18-14-25-21(28-13-10-24-20(18)28)27-11-8-22(9-12-27)6-1-2-7-22/h3-5,10,13-15H,1-2,6-9,11-12H2,(H,26,29)
• InChIKey: QTVQFDGALTWLEV-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.99
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide?

The IUPAC name of N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide (CID 155420753) is N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide.

What is the SMILES notation for N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide?

The canonical SMILES for N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide is O=CNc1cccc(Sc2cnc(N3CCC4(CCCC4)CC3)n3ccnc23)c1Cl.

What is the InChIKey of N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide?

The InChIKey is QTVQFDGALTWLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5OS/c23-19-16(26-15-29)4-3-5-17(19)30-18-14-25-21(28-13-10-24-20(18)28)27-11-8-22(9-12-27)6-1-2-7-22/h3-5,10,13-15H,1-2,6-9,11-12H2,(H,26,29).

What are the key properties of N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide?

N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide has a molecular weight of 441.99 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide is sourced from PubChem (CID 155420753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).