azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone

C19H20FN3OS — CID 3000172

IUPACazepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCCCCC3)cc12
InChIInChI=1S/C19H20FN3OS/c1-13-16-12-17(18(24)22-10-4-2-3-5-11-22)25-19(16)23(21-13)15-8-6-14(20)7-9-15/h6-9,12H,2-5,10-11H2,1H3
InChIKeyFXLOSLWGRXYIGX-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.55
Rot. Bonds2

About azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone

azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (PubChem CID 3000172) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
PubChem CID3000172
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Nameazepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCCCCC3)cc12
InChIInChI=1S/C19H20FN3OS/c1-13-16-12-17(18(24)22-10-4-2-3-5-11-22)25-19(16)23(21-13)15-8-6-14(20)7-9-15/h6-9,12H,2-5,10-11H2,1H3
InChIKeyFXLOSLWGRXYIGX-UHFFFAOYSA-N
XLogP4.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone 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 azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (CID 3000172) is azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCCCCC3)cc12.
What is the InChIKey of azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The InChIKey is FXLOSLWGRXYIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-13-16-12-17(18(24)22-10-4-2-3-5-11-22)25-19(16)23(21-13)15-8-6-14(20)7-9-15/h6-9,12H,2-5,10-11H2,1H3.
What are the key properties of azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone has a molecular weight of 357.45 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 3000172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).