5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine

C20H20Cl2F2N6S — CID 139427204

About 5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine

5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine (PubChem CID 139427204) has the molecular formula C20H20Cl2F2N6S and a molecular weight of 485.39 g/mol. Its IUPAC name is 5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine.

Molecular Properties

• Compound Name: 5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
• PubChem CID: 139427204
• Molecular Formula: C20H20Cl2F2N6S
• Molecular Weight: 485.39 g/mol
• Exact Mass: 484.08
• IUPAC Name: 5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
• SMILES: Nc1cc(Sc2cnc(N3CCC4(CC3)CCC(F)(F)C4)n3ccnc23)c(Cl)c(Cl)n1
• InChI: InChI=1S/C20H20Cl2F2N6S/c21-15-12(9-14(25)28-16(15)22)31-13-10-27-18(30-8-5-26-17(13)30)29-6-3-19(4-7-29)1-2-20(23,24)11-19/h5,8-10H,1-4,6-7,11H2,(H2,25,28)
• InChIKey: QIZLSSXODUFCNJ-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 72.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.39
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?

The IUPAC name of 5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine (CID 139427204) is 5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine.

What is the SMILES notation for 5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?

The canonical SMILES for 5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine is Nc1cc(Sc2cnc(N3CCC4(CC3)CCC(F)(F)C4)n3ccnc23)c(Cl)c(Cl)n1.

What is the InChIKey of 5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?

The InChIKey is QIZLSSXODUFCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2F2N6S/c21-15-12(9-14(25)28-16(15)22)31-13-10-27-18(30-8-5-26-17(13)30)29-6-3-19(4-7-29)1-2-20(23,24)11-19/h5,8-10H,1-4,6-7,11H2,(H2,25,28).

What are the key properties of 5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?

5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine has a molecular weight of 485.39 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dichloro-4-[5-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine is sourced from PubChem (CID 139427204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).