(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C22H23F5N6S — CID 164743590

About (4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 164743590) has the molecular formula C22H23F5N6S and a molecular weight of 498.53 g/mol. Its IUPAC name is (4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: (4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 164743590
• Molecular Formula: C22H23F5N6S
• Molecular Weight: 498.53 g/mol
• Exact Mass: 498.16
• IUPAC Name: (4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
• SMILES: Cc1nc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F
• InChI: InChI=1S/C22H23F5N6S/c1-13-16(34-14-3-2-6-29-17(14)22(25,26)27)18-30-7-10-33(18)19(31-13)32-8-4-20(5-9-32)12-21(23,24)11-15(20)28/h2-3,6-7,10,15H,4-5,8-9,11-12,28H2,1H3/t15-/m1/s1
• InChIKey: GIPAJZRWDHHWBC-OAHLLOKOSA-N
• XLogP: 4.95
• TPSA: 72.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.53
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of (4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 164743590) is (4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for (4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for (4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is Cc1nc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.

What is the InChIKey of (4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

The InChIKey is GIPAJZRWDHHWBC-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23F5N6S/c1-13-16(34-14-3-2-6-29-17(14)22(25,26)27)18-30-7-10-33(18)19(31-13)32-8-4-20(5-9-32)12-21(23,24)11-15(20)28/h2-3,6-7,10,15H,4-5,8-9,11-12,28H2,1H3/t15-/m1/s1.

What are the key properties of (4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 498.53 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 164743590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).