6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine

C21H19F3N4 — CID 66964711

IUPAC6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
SMILESCN1CCC(c2c(F)cccc2F)c2cc(F)c(-c3ccc(N)nn3)cc2C1
InChIInChI=1S/C21H19F3N4/c1-28-8-7-13(21-16(22)3-2-4-17(21)23)14-10-18(24)15(9-12(14)11-28)19-5-6-20(25)27-26-19/h2-6,9-10,13H,7-8,11H2,1H3,(H2,25,27)
InChIKeyUMZWJSKHNUOSDG-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.11
Rot. Bonds2

About 6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine

6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine (PubChem CID 66964711) has the molecular formula C21H19F3N4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
PubChem CID66964711
Molecular FormulaC21H19F3N4
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
SMILESCN1CCC(c2c(F)cccc2F)c2cc(F)c(-c3ccc(N)nn3)cc2C1
InChIInChI=1S/C21H19F3N4/c1-28-8-7-13(21-16(22)3-2-4-17(21)23)14-10-18(24)15(9-12(14)11-28)19-5-6-20(25)27-26-19/h2-6,9-10,13H,7-8,11H2,1H3,(H2,25,27)
InChIKeyUMZWJSKHNUOSDG-UHFFFAOYSA-N
XLogP4.11
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine with MolForge

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Related Compounds

7-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964677
5-(1-benzothiophen-2-yl)-7-fluoro-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964384
6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66965071
5-(1-benzothiophen-2-yl)-7-fluoro-2-methyl-8-[6-(trifluoromethyl)pyridazin-3-yl]-1,3,4,5-tetrahydro-2-benzazepine
CID 66965239
6-[5-(3,4-dichlorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66964370
5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
CID 66965202
[6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol
CID 66964321
5-(3,5-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964444
6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine
CID 66964229
5-(3,5-difluorophenyl)-9-fluoro-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964900
5-(4-chlorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964763
5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66965265

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine?
The IUPAC name of 6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine (CID 66964711) is 6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine?
The canonical SMILES for 6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine is CN1CCC(c2c(F)cccc2F)c2cc(F)c(-c3ccc(N)nn3)cc2C1.
What is the InChIKey of 6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine?
The InChIKey is UMZWJSKHNUOSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4/c1-28-8-7-13(21-16(22)3-2-4-17(21)23)14-10-18(24)15(9-12(14)11-28)19-5-6-20(25)27-26-19/h2-6,9-10,13H,7-8,11H2,1H3,(H2,25,27).
What are the key properties of 6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine?
6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine has a molecular weight of 384.41 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine is sourced from PubChem (CID 66964711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).