2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole

C18H17FN4O — CID 91838424

IUPAC2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCC1c2cc(F)ccc2CCN1Cc1nnc(-c2cccnc2)o1
InChIInChI=1S/C18H17FN4O/c1-12-16-9-15(19)5-4-13(16)6-8-23(12)11-17-21-22-18(24-17)14-3-2-7-20-10-14/h2-5,7,9-10,12H,6,8,11H2,1H3
InChIKeyZHUBGRZPBXVZEL-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.39
Rot. Bonds3

About 2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole

2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 91838424) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID91838424
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCC1c2cc(F)ccc2CCN1Cc1nnc(-c2cccnc2)o1
InChIInChI=1S/C18H17FN4O/c1-12-16-9-15(19)5-4-13(16)6-8-23(12)11-17-21-22-18(24-17)14-3-2-7-20-10-14/h2-5,7,9-10,12H,6,8,11H2,1H3
InChIKeyZHUBGRZPBXVZEL-UHFFFAOYSA-N
XLogP3.39
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-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

2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 86959173
5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100675540
3-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 86959280
2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 86959144
5-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 86959237
5-cyclopropyl-3-[[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2-oxazole
CID 124756545
(1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline
CID 124750999
2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 124754849
6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163308080
2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 40503258
2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 62672288
2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 172671471

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 91838424) is 2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is CC1c2cc(F)ccc2CCN1Cc1nnc(-c2cccnc2)o1.
What is the InChIKey of 2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is ZHUBGRZPBXVZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-12-16-9-15(19)5-4-13(16)6-8-23(12)11-17-21-22-18(24-17)14-3-2-7-20-10-14/h2-5,7,9-10,12H,6,8,11H2,1H3.
What are the key properties of 2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 324.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 91838424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).