6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine

C21H20F2N4O — CID 66964229

IUPAC6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine
SMILESCN1CCC(c2ccccc2F)c2ccc(Oc3ccc(N)nn3)c(F)c2C1
InChIInChI=1S/C21H20F2N4O/c1-27-11-10-14(15-4-2-3-5-17(15)22)13-6-7-18(21(23)16(13)12-27)28-20-9-8-19(24)25-26-20/h2-9,14H,10-12H2,1H3,(H2,24,25)
InChIKeyUMBIWFWUETULQE-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.10
Rot. Bonds3

About 6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine

6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine (PubChem CID 66964229) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine.

Molecular Properties

Compound Name6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine
PubChem CID66964229
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine
SMILESCN1CCC(c2ccccc2F)c2ccc(Oc3ccc(N)nn3)c(F)c2C1
InChIInChI=1S/C21H20F2N4O/c1-27-11-10-14(15-4-2-3-5-17(15)22)13-6-7-18(21(23)16(13)12-27)28-20-9-8-19(24)25-26-20/h2-9,14H,10-12H2,1H3,(H2,24,25)
InChIKeyUMBIWFWUETULQE-UHFFFAOYSA-N
XLogP4.10
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine with MolForge

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Related Compounds

9-fluoro-5-(2-fluorophenyl)-8-(6-methylpyridazin-3-yl)oxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66964898
6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66965071
5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
CID 66965202
6-[5-(3,4-dichlorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66964370
6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine
CID 66964945
6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66964711
5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66963777
5-(2-fluorophenyl)-2-methyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4,5-tetrahydro-2-benzazepine
CID 66965105
[6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol
CID 66964321
4-(2,3-difluorophenyl)-1-methylpiperidine
CID 57438792
5-(3,5-difluorophenyl)-9-fluoro-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964900
9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964885

Frequently Asked Questions

What is the IUPAC name of 6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine?
The IUPAC name of 6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine (CID 66964229) is 6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine.
What is the SMILES notation for 6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine?
The canonical SMILES for 6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine is CN1CCC(c2ccccc2F)c2ccc(Oc3ccc(N)nn3)c(F)c2C1.
What is the InChIKey of 6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine?
The InChIKey is UMBIWFWUETULQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-27-11-10-14(15-4-2-3-5-17(15)22)13-6-7-18(21(23)16(13)12-27)28-20-9-8-19(24)25-26-20/h2-9,14H,10-12H2,1H3,(H2,24,25).
What are the key properties of 6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine?
6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine has a molecular weight of 382.41 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine is sourced from PubChem (CID 66964229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).