N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide

C32H35N3O2 — CID 92950442

About N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide

N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide (PubChem CID 92950442) has the molecular formula C32H35N3O2 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide
• PubChem CID: 92950442
• Molecular Formula: C32H35N3O2
• Molecular Weight: 493.65 g/mol
• Exact Mass: 493.27
• IUPAC Name: N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide
• SMILES: CCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(C(C)C)cc1)C(=O)c1ccc2ccccc2c1
• InChI: InChI=1S/C32H35N3O2/c1-4-17-34(32(37)28-16-13-25-8-5-6-9-27(25)21-28)22-30(36)35-20-19-33-18-7-10-29(33)31(35)26-14-11-24(12-15-26)23(2)3/h5-16,18,21,23,31H,4,17,19-20,22H2,1-3H3/t31-/m1/s1
• InChIKey: OPRCYQREZCDGSZ-WJOKGBTCSA-N
• XLogP: 6.25
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.65
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide?

The IUPAC name of N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide (CID 92950442) is N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide.

What is the SMILES notation for N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide?

The canonical SMILES for N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide is CCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(C(C)C)cc1)C(=O)c1ccc2ccccc2c1.

What is the InChIKey of N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide?

The InChIKey is OPRCYQREZCDGSZ-WJOKGBTCSA-N. The full InChI is InChI=1S/C32H35N3O2/c1-4-17-34(32(37)28-16-13-25-8-5-6-9-27(25)21-28)22-30(36)35-20-19-33-18-7-10-29(33)31(35)26-14-11-24(12-15-26)23(2)3/h5-16,18,21,23,31H,4,17,19-20,22H2,1-3H3/t31-/m1/s1.

What are the key properties of N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide?

N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide has a molecular weight of 493.65 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide is sourced from PubChem (CID 92950442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).