5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine

C24H20FN3 — CID 66963619

IUPAC5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFc1cccc2cc(C3CCNCc4cc(-c5cccnn5)ccc43)ccc12
InChIInChI=1S/C24H20FN3/c25-23-4-1-3-16-13-17(6-9-22(16)23)21-10-12-26-15-19-14-18(7-8-20(19)21)24-5-2-11-27-28-24/h1-9,11,13-14,21,26H,10,12,15H2
InChIKeyPRCSCYZFOOAJRW-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.06
Rot. Bonds2

About 5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine

5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 66963619) has the molecular formula C24H20FN3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID66963619
Molecular FormulaC24H20FN3
Molecular Weight369.44 g/mol
Exact Mass369.16
IUPAC Name5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFc1cccc2cc(C3CCNCc4cc(-c5cccnn5)ccc43)ccc12
InChIInChI=1S/C24H20FN3/c25-23-4-1-3-16-13-17(6-9-22(16)23)21-10-12-26-15-19-14-18(7-8-20(19)21)24-5-2-11-27-28-24/h1-9,11,13-14,21,26H,10,12,15H2
InChIKeyPRCSCYZFOOAJRW-UHFFFAOYSA-N
XLogP5.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 66963619) is 5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine is Fc1cccc2cc(C3CCNCc4cc(-c5cccnn5)ccc43)ccc12.
What is the InChIKey of 5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is PRCSCYZFOOAJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3/c25-23-4-1-3-16-13-17(6-9-22(16)23)21-10-12-26-15-19-14-18(7-8-20(19)21)24-5-2-11-27-28-24/h1-9,11,13-14,21,26H,10,12,15H2.
What are the key properties of 5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 369.44 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 66963619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).