3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one

C23H25FN4O2 — CID 141265351

IUPAC3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
SMILESO=C1NCCC1c1ccc(C(=O)N2CCN(c3ccc(C4CC4)cn3)CC2)c(F)c1
InChIInChI=1S/C23H25FN4O2/c24-20-13-16(18-7-8-25-22(18)29)3-5-19(20)23(30)28-11-9-27(10-12-28)21-6-4-17(14-26-21)15-1-2-15/h3-6,13-15,18H,1-2,7-12H2,(H,25,29)
InChIKeyYFTDSESRZYNQMP-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.66
Rot. Bonds4

About 3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one

3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one (PubChem CID 141265351) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
PubChem CID141265351
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
SMILESO=C1NCCC1c1ccc(C(=O)N2CCN(c3ccc(C4CC4)cn3)CC2)c(F)c1
InChIInChI=1S/C23H25FN4O2/c24-20-13-16(18-7-8-25-22(18)29)3-5-19(20)23(30)28-11-9-27(10-12-28)21-6-4-17(14-26-21)15-1-2-15/h3-6,13-15,18H,1-2,7-12H2,(H,25,29)
InChIKeyYFTDSESRZYNQMP-UHFFFAOYSA-N
XLogP2.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
CID 141370863
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride
CID 141370862
3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one
CID 141265371
1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 166113877
(2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4838574
(4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 58484600
1-(5-cyclopropyl-2-pyridinyl)-4-[1-(6-fluoro-4-methyl-3-pyridinyl)ethenyl]piperazine
CID 131995639
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
CID 141370606
3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 141370639
2-(azetidin-1-yl)-5-cyclopropylpyridine
CID 160845056
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 141265346
(5S)-1-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 71252866

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one?
The IUPAC name of 3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one (CID 141265351) is 3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one is O=C1NCCC1c1ccc(C(=O)N2CCN(c3ccc(C4CC4)cn3)CC2)c(F)c1.
What is the InChIKey of 3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one?
The InChIKey is YFTDSESRZYNQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-20-13-16(18-7-8-25-22(18)29)3-5-19(20)23(30)28-11-9-27(10-12-28)21-6-4-17(14-26-21)15-1-2-15/h3-6,13-15,18H,1-2,7-12H2,(H,25,29).
What are the key properties of 3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one?
3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one has a molecular weight of 408.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one is sourced from PubChem (CID 141265351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).