5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane

C27H38N6O3 — CID 145108931

About 5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane

5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane (PubChem CID 145108931) has the molecular formula C27H38N6O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane.

Molecular Properties

• Compound Name: 5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane
• PubChem CID: 145108931
• Molecular Formula: C27H38N6O3
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.30
• IUPAC Name: 5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane
• SMILES: CC.CC(C)n1cc(-c2cccc(N3CCN(C(=O)CCC4(C5CC5)NC(=O)NC4=O)CC3)c2)cn1
• InChI: InChI=1S/C25H32N6O3.C2H6/c1-17(2)31-16-19(15-26-31)18-4-3-5-21(14-18)29-10-12-30(13-11-29)22(32)8-9-25(20-6-7-20)23(33)27-24(34)28-25;1-2/h3-5,14-17,20H,6-13H2,1-2H3,(H2,27,28,33,34);1-2H3
• InChIKey: RCRCAOZRLXUDTO-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 99.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
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 5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane?

The IUPAC name of 5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane (CID 145108931) is 5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane.

What is the SMILES notation for 5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane?

The canonical SMILES for 5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane is CC.CC(C)n1cc(-c2cccc(N3CCN(C(=O)CCC4(C5CC5)NC(=O)NC4=O)CC3)c2)cn1.

What is the InChIKey of 5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane?

The InChIKey is RCRCAOZRLXUDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3.C2H6/c1-17(2)31-16-19(15-26-31)18-4-3-5-21(14-18)29-10-12-30(13-11-29)22(32)8-9-25(20-6-7-20)23(33)27-24(34)28-25;1-2/h3-5,14-17,20H,6-13H2,1-2H3,(H2,27,28,33,34);1-2H3.

What are the key properties of 5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane?

5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane has a molecular weight of 494.64 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane is sourced from PubChem (CID 145108931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).