[6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol

C22H22FN3O — CID 66964321

IUPAC[6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol
SMILESCN1CCC(c2ccccc2F)c2ccc(-c3ccc(CO)nn3)cc2C1
InChIInChI=1S/C22H22FN3O/c1-26-11-10-19(20-4-2-3-5-21(20)23)18-8-6-15(12-16(18)13-26)22-9-7-17(14-27)24-25-22/h2-9,12,19,27H,10-11,13-14H2,1H3
InChIKeyKBNOCSRMJLWKAC-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.74
Rot. Bonds3

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

[6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol (PubChem CID 66964321) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is [6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol
PubChem CID66964321
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name[6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol
SMILESCN1CCC(c2ccccc2F)c2ccc(-c3ccc(CO)nn3)cc2C1
InChIInChI=1S/C22H22FN3O/c1-26-11-10-19(20-4-2-3-5-21(20)23)18-8-6-15(12-16(18)13-26)22-9-7-17(14-27)24-25-22/h2-9,12,19,27H,10-11,13-14H2,1H3
InChIKeyKBNOCSRMJLWKAC-UHFFFAOYSA-N
XLogP3.74
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
CID 66965202
5-(2-fluorophenyl)-2-methyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4,5-tetrahydro-2-benzazepine
CID 66965105
5-(3,5-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964444
5-(1-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66964285
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
5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964582
(2R,3R)-2,3-dihydroxybutanedioic acid;5-(4-fluorophenyl)-2-methyl-8-[6-(trifluoromethyl)pyridazin-3-yl]-1,3,4,5-tetrahydro-2-benzazepine
CID 162328219
N,N-dimethyl-4-[2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]benzamide
CID 66963765
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-fluorophenoxy)-2-methyl-8-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 25156855
2-methyl-5-phenoxy-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 25156308

Frequently Asked Questions

What is the IUPAC name of [6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol?
The IUPAC name of [6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol (CID 66964321) is [6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol is CN1CCC(c2ccccc2F)c2ccc(-c3ccc(CO)nn3)cc2C1.
What is the InChIKey of [6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol?
The InChIKey is KBNOCSRMJLWKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-26-11-10-19(20-4-2-3-5-21(20)23)18-8-6-15(12-16(18)13-26)22-9-7-17(14-27)24-25-22/h2-9,12,19,27H,10-11,13-14H2,1H3.
What are the key properties of [6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol?
[6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol has a molecular weight of 363.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol is sourced from PubChem (CID 66964321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).