2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine

C23H22N4O — CID 25156583

IUPAC2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCN1CCC(Oc2ccccc2)c2ccc(-c3ccc4ncnn4c3)cc2C1
InChIInChI=1S/C23H22N4O/c1-26-12-11-22(28-20-5-3-2-4-6-20)21-9-7-17(13-19(21)14-26)18-8-10-23-24-16-25-27(23)15-18/h2-10,13,15-16,22H,11-12,14H2,1H3
InChIKeyQMTIJRLRPZSKJV-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.35
Rot. Bonds3

About 2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine

2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 25156583) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID25156583
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCN1CCC(Oc2ccccc2)c2ccc(-c3ccc4ncnn4c3)cc2C1
InChIInChI=1S/C23H22N4O/c1-26-12-11-22(28-20-5-3-2-4-6-20)21-9-7-17(13-19(21)14-26)18-8-10-23-24-16-25-27(23)15-18/h2-10,13,15-16,22H,11-12,14H2,1H3
InChIKeyQMTIJRLRPZSKJV-UHFFFAOYSA-N
XLogP4.35
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-phenoxy-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 25156308
5-(2-fluorophenoxy)-2-methyl-8-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 25156855
2-[5-(3,5-difluorophenoxy)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]benzonitrile
CID 68502466
5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 68506660
5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 68501977
7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 11602362
8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine
CID 150757968
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
(2R,3R)-2,3-dihydroxybutanedioic acid;3-(2-methyl-5-phenyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)benzonitrile
CID 162318394
CID 145001680
CID 145001680
N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline
CID 166814764

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine (CID 25156583) is 2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine is CN1CCC(Oc2ccccc2)c2ccc(-c3ccc4ncnn4c3)cc2C1.
What is the InChIKey of 2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is QMTIJRLRPZSKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-26-12-11-22(28-20-5-3-2-4-6-20)21-9-7-17(13-19(21)14-26)18-8-10-23-24-16-25-27(23)15-18/h2-10,13,15-16,22H,11-12,14H2,1H3.
What are the key properties of 2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine?
2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 370.46 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 25156583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).