N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide

C24H25ClN6OS — CID 166932794

About N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide

N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide (PubChem CID 166932794) has the molecular formula C24H25ClN6OS and a molecular weight of 481.03 g/mol. Its IUPAC name is N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide
• PubChem CID: 166932794
• Molecular Formula: C24H25ClN6OS
• Molecular Weight: 481.03 g/mol
• Exact Mass: 480.15
• IUPAC Name: N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide
• SMILES: O=C(Nc1cccc(Sc2cnc(N3CCC4(CCCC4)CC3)cn2)c1Cl)c1ncccn1
• InChI: InChI=1S/C24H25ClN6OS/c25-21-17(30-23(32)22-26-11-4-12-27-22)5-3-6-18(21)33-20-16-28-19(15-29-20)31-13-9-24(10-14-31)7-1-2-8-24/h3-6,11-12,15-16H,1-2,7-10,13-14H2,(H,30,32)
• InChIKey: GHJKKACRERPTPB-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.03
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide?

The IUPAC name of N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide (CID 166932794) is N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide?

The canonical SMILES for N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide is O=C(Nc1cccc(Sc2cnc(N3CCC4(CCCC4)CC3)cn2)c1Cl)c1ncccn1.

What is the InChIKey of N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide?

The InChIKey is GHJKKACRERPTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6OS/c25-21-17(30-23(32)22-26-11-4-12-27-22)5-3-6-18(21)33-20-16-28-19(15-29-20)31-13-9-24(10-14-31)7-1-2-8-24/h3-6,11-12,15-16H,1-2,7-10,13-14H2,(H,30,32).

What are the key properties of N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide?

N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide has a molecular weight of 481.03 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 166932794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).