1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone

C24H26FN5O — CID 97440483

IUPAC1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone
SMILESCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)Cc1ccccn1)CC2
InChIInChI=1S/C24H26FN5O/c1-28-13-14-30-21(18-5-4-6-19(25)15-18)17-27-23(30)24(28)8-11-29(12-9-24)22(31)16-20-7-2-3-10-26-20/h2-7,10,15,17H,8-9,11-14,16H2,1H3
InChIKeyWPNRHOPTWZPWEG-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.09
Rot. Bonds3

About 1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone

1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone (PubChem CID 97440483) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone
PubChem CID97440483
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone
SMILESCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)Cc1ccccn1)CC2
InChIInChI=1S/C24H26FN5O/c1-28-13-14-30-21(18-5-4-6-19(25)15-18)17-27-23(30)24(28)8-11-29(12-9-24)22(31)16-20-7-2-3-10-26-20/h2-7,10,15,17H,8-9,11-14,16H2,1H3
InChIKeyWPNRHOPTWZPWEG-UHFFFAOYSA-N
XLogP3.09
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155825613
1'-ethylsulfonyl-3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];2,2,2-trifluoroacetic acid
CID 171696973
3-(3-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155838146
2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone
CID 97440556
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
3-(3-fluorophenyl)-7-methylsulfonyl-1'-pyrimidin-2-ylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97440450
[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(4-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155856979
[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155869139
7-ethyl-3-phenyl-1'-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361061
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 155982870
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone (CID 97440483) is 1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone is CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)Cc1ccccn1)CC2.
What is the InChIKey of 1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone?
The InChIKey is WPNRHOPTWZPWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-28-13-14-30-21(18-5-4-6-19(25)15-18)17-27-23(30)24(28)8-11-29(12-9-24)22(31)16-20-7-2-3-10-26-20/h2-7,10,15,17H,8-9,11-14,16H2,1H3.
What are the key properties of 1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone?
1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone has a molecular weight of 419.50 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 97440483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).