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

C21H19F3N4 — CID 66965071

IUPAC6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
SMILESCN1CCC(c2cc(F)ccc2F)c2ccc(-c3ccc(N)nn3)c(F)c2C1
InChIInChI=1S/C21H19F3N4/c1-28-9-8-14(16-10-12(22)2-5-18(16)23)13-3-4-15(21(24)17(13)11-28)19-6-7-20(25)27-26-19/h2-7,10,14H,8-9,11H2,1H3,(H2,25,27)
InChIKeyLCBVZGQNMYKHKK-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.11
Rot. Bonds2

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

6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine (PubChem CID 66965071) has the molecular formula C21H19F3N4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
PubChem CID66965071
Molecular FormulaC21H19F3N4
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
SMILESCN1CCC(c2cc(F)ccc2F)c2ccc(-c3ccc(N)nn3)c(F)c2C1
InChIInChI=1S/C21H19F3N4/c1-28-9-8-14(16-10-12(22)2-5-18(16)23)13-3-4-15(21(24)17(13)11-28)19-6-7-20(25)27-26-19/h2-7,10,14H,8-9,11H2,1H3,(H2,25,27)
InChIKeyLCBVZGQNMYKHKK-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-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine with MolForge

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Related Compounds

6-[5-(3,4-dichlorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66964370
9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964885
5-(3,5-difluorophenyl)-9-fluoro-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964900
5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66963777
6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66964711
6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine
CID 66964229
7-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964677
7-[6-(difluoromethyl)pyridazin-3-yl]-1-(3,4-difluorophenyl)-6-fluoro-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine
CID 68658838
6-(2,3-difluoro-4-methylphenyl)pyridazin-3-amine
CID 107514047
5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
CID 66965202
4-(1-benzothiophen-5-yl)-8-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68997342
4-(1-benzothiophen-6-yl)-8-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68994313

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine?
The IUPAC name of 6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine (CID 66965071) is 6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine?
The canonical SMILES for 6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine is CN1CCC(c2cc(F)ccc2F)c2ccc(-c3ccc(N)nn3)c(F)c2C1.
What is the InChIKey of 6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine?
The InChIKey is LCBVZGQNMYKHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4/c1-28-9-8-14(16-10-12(22)2-5-18(16)23)13-3-4-15(21(24)17(13)11-28)19-6-7-20(25)27-26-19/h2-7,10,14H,8-9,11H2,1H3,(H2,25,27).
What are the key properties of 6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine?
6-[5-(2,5-difluorophenyl)-9-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-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine is sourced from PubChem (CID 66965071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).