(4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide

C24H22F5N5O3 — CID 89476907

About (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide

(4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 89476907) has the molecular formula C24H22F5N5O3 and a molecular weight of 523.46 g/mol. Its IUPAC name is (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
• PubChem CID: 89476907
• Molecular Formula: C24H22F5N5O3
• Molecular Weight: 523.46 g/mol
• Exact Mass: 523.16
• IUPAC Name: (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
• SMILES: CC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(F)cc2)c1)C(F)(F)F
• InChI: InChI=1S/C24H22F5N5O3/c1-23(2,24(27,28)29)37-12-13-7-14(9-16(26)8-13)19-10-20(32-21(35)18-11-30-22(36)31-18)33-34(19)17-5-3-15(25)4-6-17/h3-10,18H,11-12H2,1-2H3,(H2,30,31,36)(H,32,33,35)/t18-/m1/s1
• InChIKey: DZJVFWWNFLRIFK-GOSISDBHSA-N
• XLogP: 4.29
• TPSA: 97.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.46
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?

The IUPAC name of (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide (CID 89476907) is (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide.

What is the SMILES notation for (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?

The canonical SMILES for (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide is CC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(F)cc2)c1)C(F)(F)F.

What is the InChIKey of (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?

The InChIKey is DZJVFWWNFLRIFK-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22F5N5O3/c1-23(2,24(27,28)29)37-12-13-7-14(9-16(26)8-13)19-10-20(32-21(35)18-11-30-22(36)31-18)33-34(19)17-5-3-15(25)4-6-17/h3-10,18H,11-12H2,1-2H3,(H2,30,31,36)(H,32,33,35)/t18-/m1/s1.

What are the key properties of (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?

(4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 523.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 89476907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).