(2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C23H21ClFN5O2 — CID 153307974

IUPAC(2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1nn(C)c2cc(-c3noc(C4CCN(C(=O)c5cc(F)ccc5Cl)CC4)n3)ccc12
InChIInChI=1S/C23H21ClFN5O2/c1-13-17-5-3-15(11-20(17)29(2)27-13)21-26-22(32-28-21)14-7-9-30(10-8-14)23(31)18-12-16(25)4-6-19(18)24/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyHCFRCSYAGDXLTC-UHFFFAOYSA-N
MW453.91 g/mol
LogP4.74
Rot. Bonds3

About (2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 153307974) has the molecular formula C23H21ClFN5O2 and a molecular weight of 453.91 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID153307974
Molecular FormulaC23H21ClFN5O2
Molecular Weight453.91 g/mol
Exact Mass453.14
IUPAC Name(2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1nn(C)c2cc(-c3noc(C4CCN(C(=O)c5cc(F)ccc5Cl)CC4)n3)ccc12
InChIInChI=1S/C23H21ClFN5O2/c1-13-17-5-3-15(11-20(17)29(2)27-13)21-26-22(32-28-21)14-7-9-30(10-8-14)23(31)18-12-16(25)4-6-19(18)24/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyHCFRCSYAGDXLTC-UHFFFAOYSA-N
XLogP4.74
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.91
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-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

Related Compounds

US11104690, Example 41
CID 134522052
US11104690, Example 36
CID 134522607
5-[5-(2-Chloro-6-fluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-3-phenyl-1,2,4-oxadiazole
CID 53018492
5-[5-(2-Chloro-5-fluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-3-phenyl-1,2,4-oxadiazole
CID 53018497
5-[5-(2-Chlorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 53018568
5-[5-(2-Chlorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 53018605
5-[5-(2-Chlorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 53018643
US20250059174, Example 57
CID 175682318
US20250059174, Example 59
CID 175682319
5-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-ethylphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372673
5-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(3,4-dimethylphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372950
5-[5-(2-Chlorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-3-phenyl-1,2,4-oxadiazole
CID 53018498

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 153307974) is (2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)c5cc(F)ccc5Cl)CC4)n3)ccc12.
What is the InChIKey of (2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is HCFRCSYAGDXLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O2/c1-13-17-5-3-15(11-20(17)29(2)27-13)21-26-22(32-28-21)14-7-9-30(10-8-14)23(31)18-12-16(25)4-6-19(18)24/h3-6,11-12,14H,7-10H2,1-2H3.
What are the key properties of (2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 453.91 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 153307974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).