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

C26H33F9N6O6 — CID 155853767

IUPAC1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
SMILESCCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H30N6.3C2HF3O2/c1-3-25-10-11-26-18(17-12-22-23(2)15-17)13-21-19(26)20(25)6-8-24(9-7-20)14-16-4-5-16;3*3-2(4,5)1(6)7/h12-13,15-16H,3-11,14H2,1-2H3;3*(H,6,7)
InChIKeyGAQKRTMQLHKXFL-UHFFFAOYSA-N
MW696.57 g/mol
LogP4.22
Rot. Bonds4

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

1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (PubChem CID 155853767) has the molecular formula C26H33F9N6O6 and a molecular weight of 696.57 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
PubChem CID155853767
Molecular FormulaC26H33F9N6O6
Molecular Weight696.57 g/mol
Exact Mass696.23
IUPAC Name1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
SMILESCCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H30N6.3C2HF3O2/c1-3-25-10-11-26-18(17-12-22-23(2)15-17)13-21-19(26)20(25)6-8-24(9-7-20)14-16-4-5-16;3*3-2(4,5)1(6)7/h12-13,15-16H,3-11,14H2,1-2H3;3*(H,6,7)
InChIKeyGAQKRTMQLHKXFL-UHFFFAOYSA-N
XLogP4.22
TPSA154.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500696.57
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (CID 155853767) is 1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CC1)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 1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
The InChIKey is GAQKRTMQLHKXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6.3C2HF3O2/c1-3-25-10-11-26-18(17-12-22-23(2)15-17)13-21-19(26)20(25)6-8-24(9-7-20)14-16-4-5-16;3*3-2(4,5)1(6)7/h12-13,15-16H,3-11,14H2,1-2H3;3*(H,6,7).
What are the key properties of 1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) has a molecular weight of 696.57 g/mol, XLogP of 4.22, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155853767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).