5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine

C25H20FN3 — CID 66964435

IUPAC5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
SMILESCN1CC=C(c2ccc3c(F)cccc3c2)c2ccc(-c3cccnn3)cc2C1
InChIInChI=1S/C25H20FN3/c1-29-13-11-22(18-7-10-23-17(14-18)4-2-5-24(23)26)21-9-8-19(15-20(21)16-29)25-6-3-12-27-28-25/h2-12,14-15H,13,16H2,1H3
InChIKeyHCZXYNMQPVIEIY-UHFFFAOYSA-N
MW381.45 g/mol
LogP5.31
Rot. Bonds2

About 5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine

5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine (PubChem CID 66964435) has the molecular formula C25H20FN3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine.

Molecular Properties

Compound Name5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
PubChem CID66964435
Molecular FormulaC25H20FN3
Molecular Weight381.45 g/mol
Exact Mass381.16
IUPAC Name5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
SMILESCN1CC=C(c2ccc3c(F)cccc3c2)c2ccc(-c3cccnn3)cc2C1
InChIInChI=1S/C25H20FN3/c1-29-13-11-22(18-7-10-23-17(14-18)4-2-5-24(23)26)21-9-8-19(15-20(21)16-29)25-6-3-12-27-28-25/h2-12,14-15H,13,16H2,1H3
InChIKeyHCZXYNMQPVIEIY-UHFFFAOYSA-N
XLogP5.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine?
The IUPAC name of 5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine (CID 66964435) is 5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine.
What is the SMILES notation for 5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine?
The canonical SMILES for 5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine is CN1CC=C(c2ccc3c(F)cccc3c2)c2ccc(-c3cccnn3)cc2C1.
What is the InChIKey of 5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine?
The InChIKey is HCZXYNMQPVIEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3/c1-29-13-11-22(18-7-10-23-17(14-18)4-2-5-24(23)26)21-9-8-19(15-20(21)16-29)25-6-3-12-27-28-25/h2-12,14-15H,13,16H2,1H3.
What are the key properties of 5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine?
5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine has a molecular weight of 381.45 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine is sourced from PubChem (CID 66964435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).