6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

C24H17F2N3 — CID 66964598

About 6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (PubChem CID 66964598) has the molecular formula C24H17F2N3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.

Molecular Properties

• Compound Name: 6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
• PubChem CID: 66964598
• Molecular Formula: C24H17F2N3
• Molecular Weight: 385.42 g/mol
• Exact Mass: 385.14
• IUPAC Name: 6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
• SMILES: Fc1cc(-c2cccnn2)cc2c1C(c1ccc3c(F)cccc3c1)=CCNC2
• InChI: InChI=1S/C24H17F2N3/c25-21-4-1-3-15-11-16(6-7-19(15)21)20-8-10-27-14-18-12-17(13-22(26)24(18)20)23-5-2-9-28-29-23/h1-9,11-13,27H,10,14H2
• InChIKey: DTOFROBFTGJUMR-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 37.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.42
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?

The IUPAC name of 6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (CID 66964598) is 6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.

What is the SMILES notation for 6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?

The canonical SMILES for 6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is Fc1cc(-c2cccnn2)cc2c1C(c1ccc3c(F)cccc3c1)=CCNC2.

What is the InChIKey of 6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?

The InChIKey is DTOFROBFTGJUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3/c25-21-4-1-3-15-11-16(6-7-19(15)21)20-8-10-27-14-18-12-17(13-22(26)24(18)20)23-5-2-9-28-29-23/h1-9,11-13,27H,10,14H2.

What are the key properties of 6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?

6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine has a molecular weight of 385.42 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is sourced from PubChem (CID 66964598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).