7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]

C23H28N4S — CID 97361055

IUPAC7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
SMILESCCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C23H28N4S/c1-2-26-13-14-27-21(20-6-4-3-5-7-20)16-24-22(27)23(26)9-11-25(12-10-23)17-19-8-15-28-18-19/h3-8,15-16,18H,2,9-14,17H2,1H3
InChIKeyOURVIGRCEWXOPH-UHFFFAOYSA-N
MW392.57 g/mol
LogP4.44
Rot. Bonds4

About 7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]

7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] (PubChem CID 97361055) has the molecular formula C23H28N4S and a molecular weight of 392.57 g/mol. Its IUPAC name is 7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine].

Molecular Properties

Compound Name7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
PubChem CID97361055
Molecular FormulaC23H28N4S
Molecular Weight392.57 g/mol
Exact Mass392.20
IUPAC Name7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
SMILESCCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C23H28N4S/c1-2-26-13-14-27-21(20-6-4-3-5-7-20)16-24-22(27)23(26)9-11-25(12-10-23)17-19-8-15-28-18-19/h3-8,15-16,18H,2,9-14,17H2,1H3
InChIKeyOURVIGRCEWXOPH-UHFFFAOYSA-N
XLogP4.44
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-ethyl-3-phenyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361062
7-ethyl-3-phenyl-1'-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361061
7-ethyl-3-methyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155825367
7-ethyl-1'-(furan-2-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361052
7-ethyl-1'-[(1-methylpyrazol-4-yl)methyl]-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155845885
2-[(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155825736
7-ethyl-1'-(furan-3-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155842020
(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 97440539
3-(3-fluorophenyl)-7-methyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 171695017
7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361049
(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone
CID 97361072
N-benzyl-7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97440535

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The IUPAC name of 7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] (CID 97361055) is 7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine].
What is the SMILES notation for 7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The canonical SMILES for 7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] is CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccsc1)CC2.
What is the InChIKey of 7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The InChIKey is OURVIGRCEWXOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4S/c1-2-26-13-14-27-21(20-6-4-3-5-7-20)16-24-22(27)23(26)9-11-25(12-10-23)17-19-8-15-28-18-19/h3-8,15-16,18H,2,9-14,17H2,1H3.
What are the key properties of 7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] has a molecular weight of 392.57 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] is sourced from PubChem (CID 97361055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).