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

C22H19F2N5O3S — CID 53019068

IUPAC2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3cc(F)ccc3F)CC4)o2)cc1
InChIInChI=1S/C22H19F2N5O3S/c1-13-3-5-14(6-4-13)21-25-26-22(32-21)20-16-12-29(10-9-18(16)28(2)27-20)33(30,31)19-11-15(23)7-8-17(19)24/h3-8,11H,9-10,12H2,1-2H3
InChIKeyOABHWMUCQVDXKF-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.47
Rot. Bonds4

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

2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 53019068) has the molecular formula C22H19F2N5O3S and a molecular weight of 471.49 g/mol. Its IUPAC name is 2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID53019068
Molecular FormulaC22H19F2N5O3S
Molecular Weight471.49 g/mol
Exact Mass471.12
IUPAC Name2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3cc(F)ccc3F)CC4)o2)cc1
InChIInChI=1S/C22H19F2N5O3S/c1-13-3-5-14(6-4-13)21-25-26-22(32-21)20-16-12-29(10-9-18(16)28(2)27-20)33(30,31)19-11-15(23)7-8-17(19)24/h3-8,11H,9-10,12H2,1-2H3
InChIKeyOABHWMUCQVDXKF-UHFFFAOYSA-N
XLogP3.47
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-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-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 53019068) is 2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3cc(F)ccc3F)CC4)o2)cc1.
What is the InChIKey of 2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is OABHWMUCQVDXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O3S/c1-13-3-5-14(6-4-13)21-25-26-22(32-21)20-16-12-29(10-9-18(16)28(2)27-20)33(30,31)19-11-15(23)7-8-17(19)24/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 471.49 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53019068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).