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

C20H21Cl2F2N7S — CID 153334931

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

(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine (PubChem CID 153334931) has the molecular formula C20H21Cl2F2N7S and a molecular weight of 500.41 g/mol. Its IUPAC name is (4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: (4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 153334931
• Molecular Formula: C20H21Cl2F2N7S
• Molecular Weight: 500.41 g/mol
• Exact Mass: 499.09
• IUPAC Name: (4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
• SMILES: Nc1cc(Sc2cnc(N3CCC4(CC3)CC(F)(F)C[C@H]4N)n3ccnc23)c(Cl)c(Cl)n1
• InChI: InChI=1S/C20H21Cl2F2N7S/c21-15-11(7-14(26)29-16(15)22)32-12-9-28-18(31-6-3-27-17(12)31)30-4-1-19(2-5-30)10-20(23,24)8-13(19)25/h3,6-7,9,13H,1-2,4-5,8,10,25H2,(H2,26,29)/t13-/m1/s1
• InChIKey: KPWDCDMOMWXIMY-CYBMUJFWSA-N
• XLogP: 4.51
• TPSA: 98.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.41
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine (CID 153334931) is (4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine.

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

The canonical SMILES for (4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine is Nc1cc(Sc2cnc(N3CCC4(CC3)CC(F)(F)C[C@H]4N)n3ccnc23)c(Cl)c(Cl)n1.

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

The InChIKey is KPWDCDMOMWXIMY-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21Cl2F2N7S/c21-15-11(7-14(26)29-16(15)22)32-12-9-28-18(31-6-3-27-17(12)31)30-4-1-19(2-5-30)10-20(23,24)8-13(19)25/h3,6-7,9,13H,1-2,4-5,8,10,25H2,(H2,26,29)/t13-/m1/s1.

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

(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine has a molecular weight of 500.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 153334931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).