3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea

C29H30N4O2 — CID 42788189

About 3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea

3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea (PubChem CID 42788189) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea.

Molecular Properties

• Compound Name: 3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea
• PubChem CID: 42788189
• Molecular Formula: C29H30N4O2
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.24
• IUPAC Name: 3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea
• SMILES: CCCN(CC(=O)N1CCn2cccc2C1c1ccccc1)C(=O)Nc1cccc2ccccc12
• InChI: InChI=1S/C29H30N4O2/c1-2-17-32(29(35)30-25-15-8-13-22-10-6-7-14-24(22)25)21-27(34)33-20-19-31-18-9-16-26(31)28(33)23-11-4-3-5-12-23/h3-16,18,28H,2,17,19-21H2,1H3,(H,30,35)
• InChIKey: ZRGYKTFDRARIID-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea?

The IUPAC name of 3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea (CID 42788189) is 3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea.

What is the SMILES notation for 3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea?

The canonical SMILES for 3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea is CCCN(CC(=O)N1CCn2cccc2C1c1ccccc1)C(=O)Nc1cccc2ccccc12.

What is the InChIKey of 3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea?

The InChIKey is ZRGYKTFDRARIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-2-17-32(29(35)30-25-15-8-13-22-10-6-7-14-24(22)25)21-27(34)33-20-19-31-18-9-16-26(31)28(33)23-11-4-3-5-12-23/h3-16,18,28H,2,17,19-21H2,1H3,(H,30,35).

What are the key properties of 3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea?

3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea has a molecular weight of 466.59 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea is sourced from PubChem (CID 42788189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).