2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)

C24H38F6N4O6 — CID 155856301

About 2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)

2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155856301) has the molecular formula C24H38F6N4O6 and a molecular weight of 592.58 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155856301
• Molecular Formula: C24H38F6N4O6
• Molecular Weight: 592.58 g/mol
• Exact Mass: 592.27
• IUPAC Name: 2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
• SMILES: COCCN1CC(COC)C2(CCN(Cc3cnn(C(C)C)c3)CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H36N4O2.2C2HF3O2/c1-17(2)24-13-18(11-21-24)12-22-7-5-20(6-8-22)16-23(9-10-25-3)14-19(20)15-26-4;2*3-2(4,5)1(6)7/h11,13,17,19H,5-10,12,14-16H2,1-4H3;2*(H,6,7)
• InChIKey: YYYFGIJRLMVBOY-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 117.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.58
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (CID 155856301) is 2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is COCCN1CC(COC)C2(CCN(Cc3cnn(C(C)C)c3)CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is YYYFGIJRLMVBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2.2C2HF3O2/c1-17(2)24-13-18(11-21-24)12-22-7-5-20(6-8-22)16-23(9-10-25-3)14-19(20)15-26-4;2*3-2(4,5)1(6)7/h11,13,17,19H,5-10,12,14-16H2,1-4H3;2*(H,6,7).

What are the key properties of 2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 592.58 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethyl)-4-(methoxymethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155856301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).