Skip to content

(5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine

C25H27FN2O2S — CID 142754659

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine
SMILESCC[C@@H]1N=C(c2ccc(F)cc2)c2ccc(CS(=O)(=O)CC)cc2C2=CN(C)CC=C21
InChIInChI=1S/C25H27FN2O2S/c1-4-24-20-12-13-28(3)15-23(20)22-14-17(16-31(29,30)5-2)6-11-21(22)25(27-24)18-7-9-19(26)10-8-18/h6-12,14-15,24H,4-5,13,16H2,1-3H3/t24-/m0/s1
InChIKeyJHAAWOZEPNQPRI-DEOSSOPVSA-N
MW438.57 g/mol
LogP4.60
Rot. Bonds5

About (5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine

(5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine (PubChem CID 142754659) has the molecular formula C25H27FN2O2S and a molecular weight of 438.57 g/mol. Its IUPAC name is (5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine.

Molecular Properties

Compound Name(5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine
PubChem CID142754659
Molecular FormulaC25H27FN2O2S
Molecular Weight438.57 g/mol
Exact Mass438.18
IUPAC Name(5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine
SMILESCC[C@@H]1N=C(c2ccc(F)cc2)c2ccc(CS(=O)(=O)CC)cc2C2=CN(C)CC=C21
InChIInChI=1S/C25H27FN2O2S/c1-4-24-20-12-13-28(3)15-23(20)22-14-17(16-31(29,30)5-2)6-11-21(22)25(27-24)18-7-9-19(26)10-8-18/h6-12,14-15,24H,4-5,13,16H2,1-3H3/t24-/m0/s1
InChIKeyJHAAWOZEPNQPRI-DEOSSOPVSA-N
XLogP4.60
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine?
The IUPAC name of (5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine (CID 142754659) is (5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine.
What is the SMILES notation for (5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine?
The canonical SMILES for (5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine is CC[C@@H]1N=C(c2ccc(F)cc2)c2ccc(CS(=O)(=O)CC)cc2C2=CN(C)CC=C21.
What is the InChIKey of (5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine?
The InChIKey is JHAAWOZEPNQPRI-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H27FN2O2S/c1-4-24-20-12-13-28(3)15-23(20)22-14-17(16-31(29,30)5-2)6-11-21(22)25(27-24)18-7-9-19(26)10-8-18/h6-12,14-15,24H,4-5,13,16H2,1-3H3/t24-/m0/s1.
What are the key properties of (5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine?
(5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine has a molecular weight of 438.57 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-10-(ethylsulfonylmethyl)-7-(4-fluorophenyl)-2-methyl-3,5-dihydropyrido[4,3-d][2]benzazepine is sourced from PubChem (CID 142754659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.