1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)

C24H30F6N6O5 — CID 155858153

About 1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)

1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155858153) has the molecular formula C24H30F6N6O5 and a molecular weight of 596.53 g/mol. Its IUPAC name is 1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155858153
• Molecular Formula: C24H30F6N6O5
• Molecular Weight: 596.53 g/mol
• Exact Mass: 596.22
• IUPAC Name: 1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H28N6O.2C2HF3O2/c1-15(27)26-10-9-25-18(17-11-22-23(2)14-17)12-21-19(25)20(26)5-7-24(8-6-20)13-16-3-4-16;2*3-2(4,5)1(6)7/h11-12,14,16H,3-10,13H2,1-2H3;2*(H,6,7)
• InChIKey: IESZMUNDGYHYBM-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 133.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.53
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) (CID 155858153) is 1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) is CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is IESZMUNDGYHYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O.2C2HF3O2/c1-15(27)26-10-9-25-18(17-11-22-23(2)14-17)12-21-19(25)20(26)5-7-24(8-6-20)13-16-3-4-16;2*3-2(4,5)1(6)7/h11-12,14,16H,3-10,13H2,1-2H3;2*(H,6,7).

What are the key properties of 1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)?

1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 596.53 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155858153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).