[2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid

C26H37F3N6O3 — CID 155831316

About [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid

[2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155831316) has the molecular formula C26H37F3N6O3 and a molecular weight of 538.62 g/mol. Its IUPAC name is [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155831316
• Molecular Formula: C26H37F3N6O3
• Molecular Weight: 538.62 g/mol
• Exact Mass: 538.29
• IUPAC Name: [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid
• SMILES: Cc1cnc(C(=O)N2Cc3c(nc(C)n3C(C)C)C3(CCN(CC(C)C)CC3)C2)cn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H36N6O.C2HF3O2/c1-16(2)13-28-9-7-24(8-10-28)15-29(23(31)20-12-25-18(5)11-26-20)14-21-22(24)27-19(6)30(21)17(3)4;3-2(4,5)1(6)7/h11-12,16-17H,7-10,13-15H2,1-6H3;(H,6,7)
• InChIKey: DVIZMVHVFUNLGN-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 104.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.62
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 155831316) is [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid is Cc1cnc(C(=O)N2Cc3c(nc(C)n3C(C)C)C3(CCN(CC(C)C)CC3)C2)cn1.O=C(O)C(F)(F)F.

What is the InChIKey of [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid?

The InChIKey is DVIZMVHVFUNLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O.C2HF3O2/c1-16(2)13-28-9-7-24(8-10-28)15-29(23(31)20-12-25-18(5)11-26-20)14-21-22(24)27-19(6)30(21)17(3)4;3-2(4,5)1(6)7/h11-12,16-17H,7-10,13-15H2,1-6H3;(H,6,7).

What are the key properties of [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid?

[2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 538.62 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).