(5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

C27H26N4O5 — CID 41214097

About (5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

(5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 41214097) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is (5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
• PubChem CID: 41214097
• Molecular Formula: C27H26N4O5
• Molecular Weight: 486.53 g/mol
• Exact Mass: 486.19
• IUPAC Name: (5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
• SMILES: CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccco2)C1=O
• InChI: InChI=1S/C27H26N4O5/c1-3-27(19-8-5-4-6-9-19)25(33)30(26(34)28-27)17-24(32)31-22(23-10-7-15-36-23)16-21(29-31)18-11-13-20(35-2)14-12-18/h4-15,22H,3,16-17H2,1-2H3,(H,28,34)/t22-,27+/m1/s1
• InChIKey: TVSDGVDZQRPJLW-AMGIVPHBSA-N
• XLogP: 3.82
• TPSA: 104.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.53
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?

The IUPAC name of (5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (CID 41214097) is (5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccco2)C1=O.

What is the InChIKey of (5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?

The InChIKey is TVSDGVDZQRPJLW-AMGIVPHBSA-N. The full InChI is InChI=1S/C27H26N4O5/c1-3-27(19-8-5-4-6-9-19)25(33)30(26(34)28-27)17-24(32)31-22(23-10-7-15-36-23)16-21(29-31)18-11-13-20(35-2)14-12-18/h4-15,22H,3,16-17H2,1-2H3,(H,28,34)/t22-,27+/m1/s1.

What are the key properties of (5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?

(5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 486.53 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-ethyl-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 41214097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).