1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone

C22H24FN5O — CID 110095283

IUPAC1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1ncc(-c2nccnc2C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1C
InChIInChI=1S/C22H24FN5O/c1-15-26-14-19(27(15)2)22-21(24-9-10-25-22)17-7-11-28(12-8-17)20(29)13-16-3-5-18(23)6-4-16/h3-6,9-10,14,17H,7-8,11-13H2,1-2H3
InChIKeyQJTHJPDWSWZUMS-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.27
Rot. Bonds4

About 1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 110095283) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID110095283
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1ncc(-c2nccnc2C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1C
InChIInChI=1S/C22H24FN5O/c1-15-26-14-19(27(15)2)22-21(24-9-10-25-22)17-7-11-28(12-8-17)20(29)13-16-3-5-18(23)6-4-16/h3-6,9-10,14,17H,7-8,11-13H2,1-2H3
InChIKeyQJTHJPDWSWZUMS-UHFFFAOYSA-N
XLogP3.27
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110131823
1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124964605
[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110109922
2-(4-fluorophenyl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 90559036
2-(4-fluorophenyl)-1-[3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255072
1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819071
2-(4-fluorophenyl)-1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]ethanone
CID 110405265
[(3R)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124999728
2-(4-fluorophenyl)-1-[7-(2-methylphenyl)-1,4-thiazepan-4-yl]ethanone
CID 90631191
4-[(4-fluorophenyl)methyl]-3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 91890574
2-(4-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151003
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868042

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 110095283) is 1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone is Cc1ncc(-c2nccnc2C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1C.
What is the InChIKey of 1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is QJTHJPDWSWZUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-15-26-14-19(27(15)2)22-21(24-9-10-25-22)17-7-11-28(12-8-17)20(29)13-16-3-5-18(23)6-4-16/h3-6,9-10,14,17H,7-8,11-13H2,1-2H3.
What are the key properties of 1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 393.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 110095283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).