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

C22H20FN5O3S — CID 53018991

IUPAC2-(4-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccc(F)cc5)o4)nn3C)C2)cc1
InChIInChI=1S/C22H20FN5O3S/c1-14-3-9-17(10-4-14)32(29,30)28-12-11-19-18(13-28)20(26-27(19)2)22-25-24-21(31-22)15-5-7-16(23)8-6-15/h3-10H,11-13H2,1-2H3
InChIKeyFGVLSAZJJBGMGH-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.33
Rot. Bonds4

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

2-(4-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole (PubChem CID 53018991) has the molecular formula C22H20FN5O3S and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
PubChem CID53018991
Molecular FormulaC22H20FN5O3S
Molecular Weight453.50 g/mol
Exact Mass453.13
IUPAC Name2-(4-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccc(F)cc5)o4)nn3C)C2)cc1
InChIInChI=1S/C22H20FN5O3S/c1-14-3-9-17(10-4-14)32(29,30)28-12-11-19-18(13-28)20(26-27(19)2)22-25-24-21(31-22)15-5-7-16(23)8-6-15/h3-10H,11-13H2,1-2H3
InChIKeyFGVLSAZJJBGMGH-UHFFFAOYSA-N
XLogP3.33
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole (CID 53018991) is 2-(4-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-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-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole is Cc1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccc(F)cc5)o4)nn3C)C2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
The InChIKey is FGVLSAZJJBGMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3S/c1-14-3-9-17(10-4-14)32(29,30)28-12-11-19-18(13-28)20(26-27(19)2)22-25-24-21(31-22)15-5-7-16(23)8-6-15/h3-10H,11-13H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole has a molecular weight of 453.50 g/mol, XLogP of 3.33, 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-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53018991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).