(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone

C18H24N4O2 — CID 97361090

IUPAC(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone
SMILESCCN1CCn2c(C)cnc2C12CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C18H24N4O2/c1-3-21-10-11-22-14(2)13-19-17(22)18(21)6-8-20(9-7-18)16(23)15-5-4-12-24-15/h4-5,12-13H,3,6-11H2,1-2H3
InChIKeyFOMVURWIJWVGGG-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.25
Rot. Bonds2

About (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone

(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone (PubChem CID 97361090) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone
PubChem CID97361090
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone
SMILESCCN1CCn2c(C)cnc2C12CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C18H24N4O2/c1-3-21-10-11-22-14(2)13-19-17(22)18(21)6-8-20(9-7-18)16(23)15-5-4-12-24-15/h4-5,12-13H,3,6-11H2,1-2H3
InChIKeyFOMVURWIJWVGGG-UHFFFAOYSA-N
XLogP2.25
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone?
The IUPAC name of (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone (CID 97361090) is (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone?
The canonical SMILES for (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone is CCN1CCn2c(C)cnc2C12CCN(C(=O)c1ccco1)CC2.
What is the InChIKey of (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone?
The InChIKey is FOMVURWIJWVGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-21-10-11-22-14(2)13-19-17(22)18(21)6-8-20(9-7-18)16(23)15-5-4-12-24-15/h4-5,12-13H,3,6-11H2,1-2H3.
What are the key properties of (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone?
(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 97361090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).