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

C20H25N5O3 — CID 126865159

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

6-cyclopropyl-2-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865159) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-2-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
• PubChem CID: 126865159
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: 6-cyclopropyl-2-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
• SMILES: O=C(c1cc2n(n1)CCCO2)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1
• InChI: InChI=1S/C20H25N5O3/c26-18-5-4-16(15-2-3-15)21-25(18)13-14-6-9-23(10-7-14)20(27)17-12-19-24(22-17)8-1-11-28-19/h4-5,12,14-15H,1-3,6-11,13H2
• InChIKey: BXNLXBRKKIDVLZ-UHFFFAOYSA-N
• XLogP: 1.65
• 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	383.45
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-2-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126865159) is 6-cyclopropyl-2-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.

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

The canonical SMILES for 6-cyclopropyl-2-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is O=C(c1cc2n(n1)CCCO2)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1.

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

The InChIKey is BXNLXBRKKIDVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-18-5-4-16(15-2-3-15)21-25(18)13-14-6-9-23(10-7-14)20(27)17-12-19-24(22-17)8-1-11-28-19/h4-5,12,14-15H,1-3,6-11,13H2.

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

6-cyclopropyl-2-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 383.45 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-2-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).