2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole

C20H19ClF3N7O — CID 121478134

IUPAC2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(Cl)cc1CN1CCNc2nnc(-c3nnc(CC4CNC4)o3)cc21
InChIInChI=1S/C20H19ClF3N7O/c21-13-1-2-14(20(22,23)24)12(6-13)10-31-4-3-26-18-16(31)7-15(27-29-18)19-30-28-17(32-19)5-11-8-25-9-11/h1-2,6-7,11,25H,3-5,8-10H2,(H,26,29)
InChIKeyWAMRHOWNTKELSV-UHFFFAOYSA-N
MW465.87 g/mol
LogP3.39
Rot. Bonds5

About 2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole

2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole (PubChem CID 121478134) has the molecular formula C20H19ClF3N7O and a molecular weight of 465.87 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole
PubChem CID121478134
Molecular FormulaC20H19ClF3N7O
Molecular Weight465.87 g/mol
Exact Mass465.13
IUPAC Name2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(Cl)cc1CN1CCNc2nnc(-c3nnc(CC4CNC4)o3)cc21
InChIInChI=1S/C20H19ClF3N7O/c21-13-1-2-14(20(22,23)24)12(6-13)10-31-4-3-26-18-16(31)7-15(27-29-18)19-30-28-17(32-19)5-11-8-25-9-11/h1-2,6-7,11,25H,3-5,8-10H2,(H,26,29)
InChIKeyWAMRHOWNTKELSV-UHFFFAOYSA-N
XLogP3.39
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.87
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine
CID 86659426
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 167531096
5-(azetidin-3-ylmethyl)-3-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,2,4-oxadiazole
CID 121478266
2-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(naphthalen-1-ylmethyl)benzamide
CID 67091756
4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(2,2-diphenylethyl)benzamide
CID 58327922
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 58327864
4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 58327890
[4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 121478283
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
CID 141188195
N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 67092230
4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 71158125
1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-N-(naphthalen-1-ylmethyl)methanamine
CID 143576078

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole (CID 121478134) is 2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(Cl)cc1CN1CCNc2nnc(-c3nnc(CC4CNC4)o3)cc21.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole?
The InChIKey is WAMRHOWNTKELSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N7O/c21-13-1-2-14(20(22,23)24)12(6-13)10-31-4-3-26-18-16(31)7-15(27-29-18)19-30-28-17(32-19)5-11-8-25-9-11/h1-2,6-7,11,25H,3-5,8-10H2,(H,26,29).
What are the key properties of 2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole?
2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole has a molecular weight of 465.87 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-5-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 121478134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).