7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid)

C30H33F12N7O8 — CID 155841425

About 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid)

7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 155841425) has the molecular formula C30H33F12N7O8 and a molecular weight of 847.61 g/mol. Its IUPAC name is 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155841425
• Molecular Formula: C30H33F12N7O8
• Molecular Weight: 847.61 g/mol
• Exact Mass: 847.22
• IUPAC Name: 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid)
• SMILES: CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1cccnc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H29N7.4C2HF3O2/c1-3-28-11-12-29-20(19-14-25-26(2)17-19)15-24-21(29)22(28)6-9-27(10-7-22)16-18-5-4-8-23-13-18;4*3-2(4,5)1(6)7/h4-5,8,13-15,17H,3,6-7,9-12,16H2,1-2H3;4*(H,6,7)
• InChIKey: RRFWIKBHLALETN-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 204.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	847.61
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid) (CID 155841425) is 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid) is CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1cccnc1)CC2.O=C(O)C(F)(F)F.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-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid)?

The InChIKey is RRFWIKBHLALETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7.4C2HF3O2/c1-3-28-11-12-29-20(19-14-25-26(2)17-19)15-24-21(29)22(28)6-9-27(10-7-22)16-18-5-4-8-23-13-18;4*3-2(4,5)1(6)7/h4-5,8,13-15,17H,3,6-7,9-12,16H2,1-2H3;4*(H,6,7).

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

7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 847.61 g/mol, XLogP of 5.04, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155841425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).