2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid

C26H37F3N6O3 — CID 155832240

About 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid

2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 155832240) has the molecular formula C26H37F3N6O3 and a molecular weight of 538.62 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
• PubChem CID: 155832240
• Molecular Formula: C26H37F3N6O3
• Molecular Weight: 538.62 g/mol
• Exact Mass: 538.29
• IUPAC Name: 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
• SMILES: CC(C)n1cnc(C2CN(Cc3cnn(C(C)C)c3)CC23CCN(CC2CC2)C3=O)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H36N6O.C2HF3O2/c1-17(2)29-14-22(25-16-29)21-13-27(10-20-9-26-30(12-20)18(3)4)15-24(21)7-8-28(23(24)31)11-19-5-6-19;3-2(4,5)1(6)7/h9,12,14,16-19,21H,5-8,10-11,13,15H2,1-4H3;(H,6,7)
• InChIKey: VAXYTURKURDDJW-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 96.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.62
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid (CID 155832240) is 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid is CC(C)n1cnc(C2CN(Cc3cnn(C(C)C)c3)CC23CCN(CC2CC2)C3=O)c1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?

The InChIKey is VAXYTURKURDDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O.C2HF3O2/c1-17(2)29-14-22(25-16-29)21-13-27(10-20-9-26-30(12-20)18(3)4)15-24(21)7-8-28(23(24)31)11-19-5-6-19;3-2(4,5)1(6)7/h9,12,14,16-19,21H,5-8,10-11,13,15H2,1-4H3;(H,6,7).

What are the key properties of 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?

2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 538.62 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155832240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).