5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine

C20H16F3N3 — CID 66965286

IUPAC5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFc1cc2c(cc1-c1cccnn1)CNCCC2c1c(F)cccc1F
InChIInChI=1S/C20H16F3N3/c21-16-3-1-4-17(22)20(16)13-6-8-24-11-12-9-15(18(23)10-14(12)13)19-5-2-7-25-26-19/h1-5,7,9-10,13,24H,6,8,11H2
InChIKeyMVYHGFMANNZLJX-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.19
Rot. Bonds2

About 5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine

5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 66965286) has the molecular formula C20H16F3N3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID66965286
Molecular FormulaC20H16F3N3
Molecular Weight355.36 g/mol
Exact Mass355.13
IUPAC Name5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFc1cc2c(cc1-c1cccnn1)CNCCC2c1c(F)cccc1F
InChIInChI=1S/C20H16F3N3/c21-16-3-1-4-17(22)20(16)13-6-8-24-11-12-9-15(18(23)10-14(12)13)19-5-2-7-25-26-19/h1-5,7,9-10,13,24H,6,8,11H2
InChIKeyMVYHGFMANNZLJX-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine with MolForge

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Related Compounds

5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66963705
9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965159
5-(4-chlorophenyl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;2,3-dihydroxybutanedioic acid
CID 131732588
6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66964711
5-(2,3-difluorophenyl)-8-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66964918
7-fluoro-5-(7-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964719
6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964598
5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66963777
3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine
CID 68526226
9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964504
9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965051
5-pyridazin-3-yl-2,3-dihydro-1H-indole
CID 160964967

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 66965286) is 5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine is Fc1cc2c(cc1-c1cccnn1)CNCCC2c1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is MVYHGFMANNZLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3/c21-16-3-1-4-17(22)20(16)13-6-8-24-11-12-9-15(18(23)10-14(12)13)19-5-2-7-25-26-19/h1-5,7,9-10,13,24H,6,8,11H2.
What are the key properties of 5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 355.36 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 66965286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).