dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate

C31H34F2K2N2O5 — CID 175928395

About dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate

dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate (PubChem CID 175928395) has the molecular formula C31H34F2K2N2O5 and a molecular weight of 630.81 g/mol. Its IUPAC name is dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate.

Molecular Properties

• Compound Name: dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate
• PubChem CID: 175928395
• Molecular Formula: C31H34F2K2N2O5
• Molecular Weight: 630.81 g/mol
• Exact Mass: 630.17
• IUPAC Name: dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate
• SMILES: Cc1cc(C2CC2)c(CN2CCC3(C[C@@H]2c2ccc(C4(O)COC4)cc2)CC(F)(F)C3)c2cc[nH]c12.O=C([O-])[O-].[K+].[K+]
• InChI: InChI=1S/C30H34F2N2O2.CH2O3.2K/c1-19-12-24(20-2-3-20)25(23-8-10-33-27(19)23)14-34-11-9-28(15-30(31,32)16-28)13-26(34)21-4-6-22(7-5-21)29(35)17-36-18-29;2-1(3)4;;/h4-8,10,12,20,26,33,35H,2-3,9,11,13-18H2,1H3;(H2,2,3,4);;/q;;2*+1/p-2/t26-;;;/m1.../s1
• InChIKey: PNTLMJHLDGXJSG-VJURXQOVSA-L
• XLogP: -2.11
• TPSA: 111.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.81
LogP ≤ 5	-2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate?

The IUPAC name of dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate (CID 175928395) is dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate.

What is the SMILES notation for dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate?

The canonical SMILES for dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate is Cc1cc(C2CC2)c(CN2CCC3(C[C@@H]2c2ccc(C4(O)COC4)cc2)CC(F)(F)C3)c2cc[nH]c12.O=C([O-])[O-].[K+].[K+].

What is the InChIKey of dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate?

The InChIKey is PNTLMJHLDGXJSG-VJURXQOVSA-L. The full InChI is InChI=1S/C30H34F2N2O2.CH2O3.2K/c1-19-12-24(20-2-3-20)25(23-8-10-33-27(19)23)14-34-11-9-28(15-30(31,32)16-28)13-26(34)21-4-6-22(7-5-21)29(35)17-36-18-29;2-1(3)4;;/h4-8,10,12,20,26,33,35H,2-3,9,11,13-18H2,1H3;(H2,2,3,4);;/q;;2*+1/p-2/t26-;;;/m1.../s1.

What are the key properties of dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate?

dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate has a molecular weight of 630.81 g/mol, XLogP of -2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate is sourced from PubChem (CID 175928395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).