(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)

C30H30F9N5O7 — CID 155837576

About (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)

(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155837576) has the molecular formula C30H30F9N5O7 and a molecular weight of 743.58 g/mol. Its IUPAC name is (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 155837576
• Molecular Formula: C30H30F9N5O7
• Molecular Weight: 743.58 g/mol
• Exact Mass: 743.20
• IUPAC Name: (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)
• SMILES: CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccccn1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H27N5O.3C2HF3O2/c1-2-28-16-17-29-21(19-8-4-3-5-9-19)18-26-23(29)24(28)11-14-27(15-12-24)22(30)20-10-6-7-13-25-20;3*3-2(4,5)1(6)7/h3-10,13,18H,2,11-12,14-17H2,1H3;3*(H,6,7)
• InChIKey: WFNCVGMAOQJRBZ-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 166.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.58
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)?

The IUPAC name of (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid) (CID 155837576) is (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid).

What is the SMILES notation for (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)?

The canonical SMILES for (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid) is CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccccn1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)?

The InChIKey is WFNCVGMAOQJRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O.3C2HF3O2/c1-2-28-16-17-29-21(19-8-4-3-5-9-19)18-26-23(29)24(28)11-14-27(15-12-24)22(30)20-10-6-7-13-25-20;3*3-2(4,5)1(6)7/h3-10,13,18H,2,11-12,14-17H2,1H3;3*(H,6,7).

What are the key properties of (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)?

(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 743.58 g/mol, XLogP of 5.31, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155837576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).