3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

C20H27N5O3 — CID 126942015

About 3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 126942015) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
• PubChem CID: 126942015
• Molecular Formula: C20H27N5O3
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.21
• IUPAC Name: 3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
• SMILES: CC(C)c1cc(=O)n(CC2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)cn1
• InChI: InChI=1S/C20H27N5O3/c1-14(2)16-10-18(26)24(13-21-16)12-15-4-7-23(8-5-15)20(27)17-11-19-25(22-17)6-3-9-28-19/h10-11,13-15H,3-9,12H2,1-2H3
• InChIKey: NINFXGVWWUPUBO-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 82.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?

The IUPAC name of 3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (CID 126942015) is 3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

What is the SMILES notation for 3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?

The canonical SMILES for 3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)cn1.

What is the InChIKey of 3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?

The InChIKey is NINFXGVWWUPUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14(2)16-10-18(26)24(13-21-16)12-15-4-7-23(8-5-15)20(27)17-11-19-25(22-17)6-3-9-28-19/h10-11,13-15H,3-9,12H2,1-2H3.

What are the key properties of 3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?

3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 385.47 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126942015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).