amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol

C18H21N5O2 — CID 89460763

About amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol

amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol (PubChem CID 89460763) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol.

Molecular Properties

• Compound Name: amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol
• PubChem CID: 89460763
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol
• SMILES: CC(C)n1nccc1-c1cn2c(n1)-c1ccc(C(N)O)cc1OCC2
• InChI: InChI=1S/C18H21N5O2/c1-11(2)23-15(5-6-20-23)14-10-22-7-8-25-16-9-12(17(19)24)3-4-13(16)18(22)21-14/h3-6,9-11,17,24H,7-8,19H2,1-2H3
• InChIKey: CZPGSBOEOUJUPQ-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 91.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol?

The IUPAC name of amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol (CID 89460763) is amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol.

What is the SMILES notation for amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol?

The canonical SMILES for amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol is CC(C)n1nccc1-c1cn2c(n1)-c1ccc(C(N)O)cc1OCC2.

What is the InChIKey of amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol?

The InChIKey is CZPGSBOEOUJUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11(2)23-15(5-6-20-23)14-10-22-7-8-25-16-9-12(17(19)24)3-4-13(16)18(22)21-14/h3-6,9-11,17,24H,7-8,19H2,1-2H3.

What are the key properties of amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol?

amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol has a molecular weight of 339.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol is sourced from PubChem (CID 89460763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).