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

C23H20F5N5O3 — CID 71287732

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

(4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 71287732) has the molecular formula C23H20F5N5O3 and a molecular weight of 509.44 g/mol. Its IUPAC name is (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
• PubChem CID: 71287732
• Molecular Formula: C23H20F5N5O3
• Molecular Weight: 509.44 g/mol
• Exact Mass: 509.15
• IUPAC Name: (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
• SMILES: C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(F)cc2)c1)C(F)(F)F
• InChI: InChI=1S/C23H20F5N5O3/c1-12(23(26,27)28)36-11-13-6-14(8-16(25)7-13)19-9-20(31-21(34)18-10-29-22(35)30-18)32-33(19)17-4-2-15(24)3-5-17/h2-9,12,18H,10-11H2,1H3,(H2,29,30,35)(H,31,32,34)/t12-,18-/m1/s1
• InChIKey: IBDCIYFTPSZGPK-KZULUSFZSA-N
• XLogP: 3.90
• TPSA: 97.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.44
LogP ≤ 5	3.90
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-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?

The IUPAC name of (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide (CID 71287732) is (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[[(2R)-1,1,1-trifluoropropan-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-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?

The canonical SMILES for (4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide is C[C@@H](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-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?

The InChIKey is IBDCIYFTPSZGPK-KZULUSFZSA-N. The full InChI is InChI=1S/C23H20F5N5O3/c1-12(23(26,27)28)36-11-13-6-14(8-16(25)7-13)19-9-20(31-21(34)18-10-29-22(35)30-18)32-33(19)17-4-2-15(24)3-5-17/h2-9,12,18H,10-11H2,1H3,(H2,29,30,35)(H,31,32,34)/t12-,18-/m1/s1.

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

(4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 509.44 g/mol, XLogP of 3.90, 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-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71287732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).