2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide

C26H25FN6O4 — CID 58378147

About 2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 58378147) has the molecular formula C26H25FN6O4 and a molecular weight of 504.52 g/mol. Its IUPAC name is 2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
• PubChem CID: 58378147
• Molecular Formula: C26H25FN6O4
• Molecular Weight: 504.52 g/mol
• Exact Mass: 504.19
• IUPAC Name: 2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
• SMILES: COc1nc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2C)C1
• InChI: InChI=1S/C26H25FN6O4/c1-14-9-15(27)5-6-17(14)23-29-11-16-13-32(7-8-33(16)23)25(35)19-10-18-20(21(34)26(36)31(2)3)12-28-22(18)30-24(19)37-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,28,30)
• InChIKey: AYKMIHLNXYWDDQ-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 113.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.52
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?

The IUPAC name of 2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 58378147) is 2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide.

What is the SMILES notation for 2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?

The canonical SMILES for 2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide is COc1nc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2C)C1.

What is the InChIKey of 2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?

The InChIKey is AYKMIHLNXYWDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O4/c1-14-9-15(27)5-6-17(14)23-29-11-16-13-32(7-8-33(16)23)25(35)19-10-18-20(21(34)26(36)31(2)3)12-28-22(18)30-24(19)37-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,28,30).

What are the key properties of 2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?

2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 504.52 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 58378147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).