4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one

C25H24FN3O — CID 166200491

IUPAC4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc(-c3ccncc3)cc2F)CN1C1CC1c1ccccc1
InChIInChI=1S/C25H24FN3O/c26-23-12-19(17-8-10-27-11-9-17)6-7-20(23)15-28-21-13-25(30)29(16-21)24-14-22(24)18-4-2-1-3-5-18/h1-12,21-22,24,28H,13-16H2
InChIKeyPMNDALPSYNDTGG-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.13
Rot. Bonds6

About 4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one

4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one (PubChem CID 166200491) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one
PubChem CID166200491
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc(-c3ccncc3)cc2F)CN1C1CC1c1ccccc1
InChIInChI=1S/C25H24FN3O/c26-23-12-19(17-8-10-27-11-9-17)6-7-20(23)15-28-21-13-25(30)29(16-21)24-14-22(24)18-4-2-1-3-5-18/h1-12,21-22,24,28H,13-16H2
InChIKeyPMNDALPSYNDTGG-UHFFFAOYSA-N
XLogP4.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one?
The IUPAC name of 4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one (CID 166200491) is 4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one?
The canonical SMILES for 4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one is O=C1CC(NCc2ccc(-c3ccncc3)cc2F)CN1C1CC1c1ccccc1.
What is the InChIKey of 4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one?
The InChIKey is PMNDALPSYNDTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c26-23-12-19(17-8-10-27-11-9-17)6-7-20(23)15-28-21-13-25(30)29(16-21)24-14-22(24)18-4-2-1-3-5-18/h1-12,21-22,24,28H,13-16H2.
What are the key properties of 4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one?
4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one has a molecular weight of 401.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one is sourced from PubChem (CID 166200491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).