N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide

C30H32FN5O3 — CID 122460033

About N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide

N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 122460033) has the molecular formula C30H32FN5O3 and a molecular weight of 529.62 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
• PubChem CID: 122460033
• Molecular Formula: C30H32FN5O3
• Molecular Weight: 529.62 g/mol
• Exact Mass: 529.25
• IUPAC Name: N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
• SMILES: CCn1cc(-c2ccc3c(c2)CC[C@]32NC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@H](C)C3CC3)C2=O)cn1
• InChI: InChI=1S/C30H32FN5O3/c1-3-34-17-24(15-32-34)22-8-11-26-23(14-22)12-13-30(26)28(38)36(29(39)33-30)18-27(37)35(19(2)21-6-7-21)16-20-4-9-25(31)10-5-20/h4-5,8-11,14-15,17,19,21H,3,6-7,12-13,16,18H2,1-2H3,(H,33,39)/t19-,30+/m1/s1
• InChIKey: RGHUUADMZIKZID-QTEAWJPNSA-N
• XLogP: 4.23
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.62
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?

The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 122460033) is N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide.

What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?

The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide is CCn1cc(-c2ccc3c(c2)CC[C@]32NC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@H](C)C3CC3)C2=O)cn1.

What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?

The InChIKey is RGHUUADMZIKZID-QTEAWJPNSA-N. The full InChI is InChI=1S/C30H32FN5O3/c1-3-34-17-24(15-32-34)22-8-11-26-23(14-22)12-13-30(26)28(38)36(29(39)33-30)18-27(37)35(19(2)21-6-7-21)16-20-4-9-25(31)10-5-20/h4-5,8-11,14-15,17,19,21H,3,6-7,12-13,16,18H2,1-2H3,(H,33,39)/t19-,30+/m1/s1.

What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?

N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 529.62 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyclopropylethyl]-2-[(3S)-6-(1-ethylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 122460033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).