5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

C25H32FN5O3 — CID 45170090

IUPAC5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccn(CC(=O)N2CCC(C3(Cc4cccc(F)c4)NC(=O)N(CC(C)C)C3=O)CC2)n1
InChIInChI=1S/C25H32FN5O3/c1-17(2)15-31-23(33)25(27-24(31)34,14-19-5-4-6-21(26)13-19)20-8-10-29(11-9-20)22(32)16-30-12-7-18(3)28-30/h4-7,12-13,17,20H,8-11,14-16H2,1-3H3,(H,27,34)
InChIKeyZVMGHMMFDBFBQJ-UHFFFAOYSA-N
MW469.56 g/mol
LogP2.76
Rot. Bonds7

About 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45170090) has the molecular formula C25H32FN5O3 and a molecular weight of 469.56 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45170090
Molecular FormulaC25H32FN5O3
Molecular Weight469.56 g/mol
Exact Mass469.25
IUPAC Name5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccn(CC(=O)N2CCC(C3(Cc4cccc(F)c4)NC(=O)N(CC(C)C)C3=O)CC2)n1
InChIInChI=1S/C25H32FN5O3/c1-17(2)15-31-23(33)25(27-24(31)34,14-19-5-4-6-21(26)13-19)20-8-10-29(11-9-20)22(32)16-30-12-7-18(3)28-30/h4-7,12-13,17,20H,8-11,14-16H2,1-3H3,(H,27,34)
InChIKeyZVMGHMMFDBFBQJ-UHFFFAOYSA-N
XLogP2.76
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 45170090) is 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is Cc1ccn(CC(=O)N2CCC(C3(Cc4cccc(F)c4)NC(=O)N(CC(C)C)C3=O)CC2)n1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is ZVMGHMMFDBFBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O3/c1-17(2)15-31-23(33)25(27-24(31)34,14-19-5-4-6-21(26)13-19)20-8-10-29(11-9-20)22(32)16-30-12-7-18(3)28-30/h4-7,12-13,17,20H,8-11,14-16H2,1-3H3,(H,27,34).
What are the key properties of 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 469.56 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45170090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).