1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone

C20H22FN3O2 — CID 128642802

IUPAC1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CCCN1C(=O)C1CCn2ccnc2C1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c21-16-5-3-14(4-6-16)18(25)13-17-2-1-9-24(17)20(26)15-7-10-23-11-8-22-19(23)12-15/h3-6,8,11,15,17H,1-2,7,9-10,12-13H2
InChIKeyUAUFJHWVYLBBKY-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.85
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone

1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone (PubChem CID 128642802) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone
PubChem CID128642802
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CCCN1C(=O)C1CCn2ccnc2C1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c21-16-5-3-14(4-6-16)18(25)13-17-2-1-9-24(17)20(26)15-7-10-23-11-8-22-19(23)12-15/h3-6,8,11,15,17H,1-2,7,9-10,12-13H2
InChIKeyUAUFJHWVYLBBKY-UHFFFAOYSA-N
XLogP2.85
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 119052252
N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 110476602
tert-butyl 2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724029
1-(4-fluorophenyl)-2-[(2S)-1-(3-methyltriazole-4-carbonyl)pyrrolidin-2-yl]ethanone
CID 124740123
2-[2-[(2S)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
CID 124616282
1-(4-fluorophenyl)-2-[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]ethanone
CID 124623314
2-[1-(1,1-dioxothiolane-3-carbonyl)pyrrolidin-2-yl]-1-phenylethanone
CID 136513735
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-fluorophenyl)propan-1-one
CID 63027101
3-(4-fluorophenyl)-1-[(2R)-2-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]pyrrolidin-1-yl]propan-1-one
CID 124592360
2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone
CID 75517519
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione
CID 119633314
1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone
CID 75517518

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone (CID 128642802) is 1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone is O=C(CC1CCCN1C(=O)C1CCn2ccnc2C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone?
The InChIKey is UAUFJHWVYLBBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-16-5-3-14(4-6-16)18(25)13-17-2-1-9-24(17)20(26)15-7-10-23-11-8-22-19(23)12-15/h3-6,8,11,15,17H,1-2,7,9-10,12-13H2.
What are the key properties of 1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone?
1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone has a molecular weight of 355.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 128642802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).