7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one

C28H35N7O2 — CID 123211326

About 7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one

7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 123211326) has the molecular formula C28H35N7O2 and a molecular weight of 501.64 g/mol. Its IUPAC name is 7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 123211326
• Molecular Formula: C28H35N7O2
• Molecular Weight: 501.64 g/mol
• Exact Mass: 501.29
• IUPAC Name: 7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C6CNC(C)(C)OC6)CC5)ccc4n3)cc12
• InChI: InChI=1S/C28H35N7O2/c1-5-22-25-12-24(32-35(25)15-18(2)30-22)23-13-27(36)34-16-20(6-7-26(34)31-23)19-8-10-33(11-9-19)21-14-29-28(3,4)37-17-21/h6-7,12-13,15-16,19,21,29H,5,8-11,14,17H2,1-4H3
• InChIKey: AEFXGAHYTKDKJK-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 89.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.64
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one (CID 123211326) is 7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one is CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C6CNC(C)(C)OC6)CC5)ccc4n3)cc12.

What is the InChIKey of 7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is AEFXGAHYTKDKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O2/c1-5-22-25-12-24(32-35(25)15-18(2)30-22)23-13-27(36)34-16-20(6-7-26(34)31-23)19-8-10-33(11-9-19)21-14-29-28(3,4)37-17-21/h6-7,12-13,15-16,19,21,29H,5,8-11,14,17H2,1-4H3.

What are the key properties of 7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?

7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 501.64 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(2,2-dimethyl-1,3-oxazinan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123211326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).