[6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone

C23H27N3O2 — CID 69450673

About [6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone

[6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 69450673) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone
• PubChem CID: 69450673
• Molecular Formula: C23H27N3O2
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.21
• IUPAC Name: [6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone
• SMILES: COc1ccc(C2CC=C3CN(C(=O)c4ccc(C)nc4)CCN32)c(C)c1C
• InChI: InChI=1S/C23H27N3O2/c1-15-5-6-18(13-24-15)23(27)25-11-12-26-19(14-25)7-9-21(26)20-8-10-22(28-4)17(3)16(20)2/h5-8,10,13,21H,9,11-12,14H2,1-4H3
• InChIKey: IUDOHDSDNPTRKX-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone?

The IUPAC name of [6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone (CID 69450673) is [6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone.

What is the SMILES notation for [6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone?

The canonical SMILES for [6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone is COc1ccc(C2CC=C3CN(C(=O)c4ccc(C)nc4)CCN32)c(C)c1C.

What is the InChIKey of [6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone?

The InChIKey is IUDOHDSDNPTRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-5-6-18(13-24-15)23(27)25-11-12-26-19(14-25)7-9-21(26)20-8-10-22(28-4)17(3)16(20)2/h5-8,10,13,21H,9,11-12,14H2,1-4H3.

What are the key properties of [6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone?

[6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 377.49 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 69450673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).