5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

C25H21F2N5O3 — CID 91271217

IUPAC5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCN(Cc1cccnc1)c1cc2cn(CC3(c4ccc(F)cc4)NC(=O)NC3=O)c(O)c2cc1F
InChIInChI=1S/C25H21F2N5O3/c1-31(12-15-3-2-8-28-11-15)21-9-16-13-32(22(33)19(16)10-20(21)27)14-25(23(34)29-24(35)30-25)17-4-6-18(26)7-5-17/h2-11,13,33H,12,14H2,1H3,(H2,29,30,34,35)
InChIKeyXUBJORBCRUTZKF-UHFFFAOYSA-N
MW477.47 g/mol
LogP3.39
Rot. Bonds6

About 5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 91271217) has the molecular formula C25H21F2N5O3 and a molecular weight of 477.47 g/mol. Its IUPAC name is 5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID91271217
Molecular FormulaC25H21F2N5O3
Molecular Weight477.47 g/mol
Exact Mass477.16
IUPAC Name5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCN(Cc1cccnc1)c1cc2cn(CC3(c4ccc(F)cc4)NC(=O)NC3=O)c(O)c2cc1F
InChIInChI=1S/C25H21F2N5O3/c1-31(12-15-3-2-8-28-11-15)21-9-16-13-32(22(33)19(16)10-20(21)27)14-25(23(34)29-24(35)30-25)17-4-6-18(26)7-5-17/h2-11,13,33H,12,14H2,1H3,(H2,29,30,34,35)
InChIKeyXUBJORBCRUTZKF-UHFFFAOYSA-N
XLogP3.39
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 91271217) is 5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is CN(Cc1cccnc1)c1cc2cn(CC3(c4ccc(F)cc4)NC(=O)NC3=O)c(O)c2cc1F.
What is the InChIKey of 5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is XUBJORBCRUTZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O3/c1-31(12-15-3-2-8-28-11-15)21-9-16-13-32(22(33)19(16)10-20(21)27)14-25(23(34)29-24(35)30-25)17-4-6-18(26)7-5-17/h2-11,13,33H,12,14H2,1H3,(H2,29,30,34,35).
What are the key properties of 5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 477.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-fluoro-1-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 91271217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).