4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide

C30H31N7O4 — CID 77106460

About 4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide

4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide (PubChem CID 77106460) has the molecular formula C30H31N7O4 and a molecular weight of 553.62 g/mol. Its IUPAC name is 4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide.

Molecular Properties

• Compound Name: 4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide
• PubChem CID: 77106460
• Molecular Formula: C30H31N7O4
• Molecular Weight: 553.62 g/mol
• Exact Mass: 553.24
• IUPAC Name: 4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide
• SMILES: COc1cc(C(=O)Nc2cc(C3CC3)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3[C@@H](C)OC(=O)N3C2)n2ccnc(N)c12
• InChI: InChI=1S/C30H31N7O4/c1-16-22-8-6-20(15-37(22)30(39)41-16)28-35-25(26-27(31)33-11-12-36(26)28)21-7-5-19(13-23(21)40-2)29(38)34-24-14-18(9-10-32-24)17-3-4-17/h5,7,9-14,16-17,20,22H,3-4,6,8,15H2,1-2H3,(H2,31,33)(H,32,34,38)/t16-,20-,22+/m1/s1
• InChIKey: JNNREEYEJCUVSJ-CNDZOEFASA-N
• XLogP: 4.60
• TPSA: 136.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.62
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide?

The IUPAC name of 4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide (CID 77106460) is 4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide.

What is the SMILES notation for 4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide?

The canonical SMILES for 4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide is COc1cc(C(=O)Nc2cc(C3CC3)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3[C@@H](C)OC(=O)N3C2)n2ccnc(N)c12.

What is the InChIKey of 4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide?

The InChIKey is JNNREEYEJCUVSJ-CNDZOEFASA-N. The full InChI is InChI=1S/C30H31N7O4/c1-16-22-8-6-20(15-37(22)30(39)41-16)28-35-25(26-27(31)33-11-12-36(26)28)21-7-5-19(13-23(21)40-2)29(38)34-24-14-18(9-10-32-24)17-3-4-17/h5,7,9-14,16-17,20,22H,3-4,6,8,15H2,1-2H3,(H2,31,33)(H,32,34,38)/t16-,20-,22+/m1/s1.

What are the key properties of 4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide?

4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide has a molecular weight of 553.62 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide is sourced from PubChem (CID 77106460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).