2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol

C23H21N3O4 — CID 135760537

About 2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol

2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol (PubChem CID 135760537) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol.

Molecular Properties

• Compound Name: 2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol
• PubChem CID: 135760537
• Molecular Formula: C23H21N3O4
• Molecular Weight: 403.44 g/mol
• Exact Mass: 403.15
• IUPAC Name: 2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol
• SMILES: COc1cc(C2=NN3C(C2)c2cccc(OC)c2OC3c2ccccn2)ccc1O
• InChI: InChI=1S/C23H21N3O4/c1-28-20-8-5-6-15-18-13-17(14-9-10-19(27)21(12-14)29-2)25-26(18)23(30-22(15)20)16-7-3-4-11-24-16/h3-12,18,23,27H,13H2,1-2H3
• InChIKey: WAEQKLDNPDDUKK-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 76.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.44
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol?

The IUPAC name of 2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol (CID 135760537) is 2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol.

What is the SMILES notation for 2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol?

The canonical SMILES for 2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol is COc1cc(C2=NN3C(C2)c2cccc(OC)c2OC3c2ccccn2)ccc1O.

What is the InChIKey of 2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol?

The InChIKey is WAEQKLDNPDDUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-28-20-8-5-6-15-18-13-17(14-9-10-19(27)21(12-14)29-2)25-26(18)23(30-22(15)20)16-7-3-4-11-24-16/h3-12,18,23,27H,13H2,1-2H3.

What are the key properties of 2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol?

2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol has a molecular weight of 403.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-4-(7-methoxy-5-pyridin-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol is sourced from PubChem (CID 135760537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).