N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

C23H24N4O4 — CID 154655437

About N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 154655437) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

• Compound Name: N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
• PubChem CID: 154655437
• Molecular Formula: C23H24N4O4
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.18
• IUPAC Name: N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
• SMILES: COc1nc(NC(=O)c2cccc3c2OCC3)cn2cc(C34CCC(C)(C3)OC4)nc12
• InChI: InChI=1S/C23H24N4O4/c1-22-7-8-23(12-22,13-31-22)16-10-27-11-17(26-21(29-2)19(27)24-16)25-20(28)15-5-3-4-14-6-9-30-18(14)15/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,25,28)
• InChIKey: KFLXVBROAKPSST-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 86.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?

The IUPAC name of N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 154655437) is N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.

What is the SMILES notation for N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?

The canonical SMILES for N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is COc1nc(NC(=O)c2cccc3c2OCC3)cn2cc(C34CCC(C)(C3)OC4)nc12.

What is the InChIKey of N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?

The InChIKey is KFLXVBROAKPSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-22-7-8-23(12-22,13-31-22)16-10-27-11-17(26-21(29-2)19(27)24-16)25-20(28)15-5-3-4-14-6-9-30-18(14)15/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,25,28).

What are the key properties of N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?

N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 154655437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).