N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide

C27H38FN3O2 — CID 4011132

About N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide

N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide (PubChem CID 4011132) has the molecular formula C27H38FN3O2 and a molecular weight of 455.62 g/mol. Its IUPAC name is N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide.

Molecular Properties

• Compound Name: N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide
• PubChem CID: 4011132
• Molecular Formula: C27H38FN3O2
• Molecular Weight: 455.62 g/mol
• Exact Mass: 455.29
• IUPAC Name: N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide
• SMILES: CCCCCCCCC(=O)N(CC(=O)N1CCn2cccc2C1c1cccc(F)c1)C(C)C
• InChI: InChI=1S/C27H38FN3O2/c1-4-5-6-7-8-9-15-25(32)31(21(2)3)20-26(33)30-18-17-29-16-11-14-24(29)27(30)22-12-10-13-23(28)19-22/h10-14,16,19,21,27H,4-9,15,17-18,20H2,1-3H3
• InChIKey: LWFARXCSRTYECK-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.62
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide?

The IUPAC name of N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide (CID 4011132) is N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide.

What is the SMILES notation for N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide?

The canonical SMILES for N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide is CCCCCCCCC(=O)N(CC(=O)N1CCn2cccc2C1c1cccc(F)c1)C(C)C.

What is the InChIKey of N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide?

The InChIKey is LWFARXCSRTYECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38FN3O2/c1-4-5-6-7-8-9-15-25(32)31(21(2)3)20-26(33)30-18-17-29-16-11-14-24(29)27(30)22-12-10-13-23(28)19-22/h10-14,16,19,21,27H,4-9,15,17-18,20H2,1-3H3.

What are the key properties of N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide?

N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide has a molecular weight of 455.62 g/mol, XLogP of 5.55, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide is sourced from PubChem (CID 4011132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).