5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C25H32N6O3 — CID 121449013

About 5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121449013) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
• PubChem CID: 121449013
• Molecular Formula: C25H32N6O3
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.25
• IUPAC Name: 5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
• SMILES: Cc1n[nH]c(C)c1-c1cccc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)C[C@@H]2C)c1
• InChI: InChI=1S/C25H32N6O3/c1-15-14-30(21(32)9-10-25(19-7-8-19)23(33)26-24(34)27-25)11-12-31(15)20-6-4-5-18(13-20)22-16(2)28-29-17(22)3/h4-6,13,15,19H,7-12,14H2,1-3H3,(H,28,29)(H2,26,27,33,34)/t15-,25?/m0/s1
• InChIKey: ZHSWWORRVPPOJP-JMTKMGNOSA-N
• XLogP: 2.50
• TPSA: 110.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	3
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 5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?

The IUPAC name of 5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 121449013) is 5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is Cc1n[nH]c(C)c1-c1cccc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)C[C@@H]2C)c1.

What is the InChIKey of 5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?

The InChIKey is ZHSWWORRVPPOJP-JMTKMGNOSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-15-14-30(21(32)9-10-25(19-7-8-19)23(33)26-24(34)27-25)11-12-31(15)20-6-4-5-18(13-20)22-16(2)28-29-17(22)3/h4-6,13,15,19H,7-12,14H2,1-3H3,(H,28,29)(H2,26,27,33,34)/t15-,25?/m0/s1.

What are the key properties of 5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?

5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 464.57 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-5-[3-[(3S)-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121449013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).