2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole

C21H17F2N5O3S — CID 53011818

IUPAC2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
SMILESCn1nc(-c2nnc(-c3ccc(F)cc3)o2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C21H17F2N5O3S/c1-27-18-10-11-28(32(29,30)16-8-6-15(23)7-9-16)12-17(18)19(26-27)21-25-24-20(31-21)13-2-4-14(22)5-3-13/h2-9H,10-12H2,1H3
InChIKeyBOHOCMIIPHYGCM-UHFFFAOYSA-N
MW457.46 g/mol
LogP3.16
Rot. Bonds4

About 2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole

2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole (PubChem CID 53011818) has the molecular formula C21H17F2N5O3S and a molecular weight of 457.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
PubChem CID53011818
Molecular FormulaC21H17F2N5O3S
Molecular Weight457.46 g/mol
Exact Mass457.10
IUPAC Name2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
SMILESCn1nc(-c2nnc(-c3ccc(F)cc3)o2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C21H17F2N5O3S/c1-27-18-10-11-28(32(29,30)16-8-6-15(23)7-9-16)12-17(18)19(26-27)21-25-24-20(31-21)13-2-4-14(22)5-3-13/h2-9H,10-12H2,1H3
InChIKeyBOHOCMIIPHYGCM-UHFFFAOYSA-N
XLogP3.16
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole (CID 53011818) is 2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole is Cn1nc(-c2nnc(-c3ccc(F)cc3)o2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
The InChIKey is BOHOCMIIPHYGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O3S/c1-27-18-10-11-28(32(29,30)16-8-6-15(23)7-9-16)12-17(18)19(26-27)21-25-24-20(31-21)13-2-4-14(22)5-3-13/h2-9H,10-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole has a molecular weight of 457.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53011818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).