5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

C18H21FN6O — CID 164633304

IUPAC5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1nn(C)cc1CN1CCC[C@@](F)(c2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C18H21FN6O/c1-13-15(10-24(2)22-13)11-25-9-3-6-18(19,12-25)17-21-16(23-26-17)14-4-7-20-8-5-14/h4-5,7-8,10H,3,6,9,11-12H2,1-2H3/t18-/m0/s1
InChIKeyYMUGCXNLIRSVBM-SFHVURJKSA-N
MW356.41 g/mol
LogP2.63
Rot. Bonds4

About 5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 164633304) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is 5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID164633304
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC Name5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1nn(C)cc1CN1CCC[C@@](F)(c2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C18H21FN6O/c1-13-15(10-24(2)22-13)11-25-9-3-6-18(19,12-25)17-21-16(23-26-17)14-4-7-20-8-5-14/h4-5,7-8,10H,3,6,9,11-12H2,1-2H3/t18-/m0/s1
InChIKeyYMUGCXNLIRSVBM-SFHVURJKSA-N
XLogP2.63
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-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

5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 171998091
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
(2,5-dimethylpyrazol-3-yl)-[4-fluoro-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride
CID 146051921
1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 83094991
5-[[3-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 171998286
1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 83094521
[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436480
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
CID 75526673
5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 139003541
(6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96580678
5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 63123750
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 52993057

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 164633304) is 5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is Cc1nn(C)cc1CN1CCC[C@@](F)(c2nc(-c3ccncc3)no2)C1.
What is the InChIKey of 5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is YMUGCXNLIRSVBM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21FN6O/c1-13-15(10-24(2)22-13)11-25-9-3-6-18(19,12-25)17-21-16(23-26-17)14-4-7-20-8-5-14/h4-5,7-8,10H,3,6,9,11-12H2,1-2H3/t18-/m0/s1.
What are the key properties of 5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 356.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 164633304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).