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

C24H24FN5O3S — CID 53019077

IUPAC2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
SMILESCCCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccccc5F)o4)nn3C)C2)cc1
InChIInChI=1S/C24H24FN5O3S/c1-3-6-16-9-11-17(12-10-16)34(31,32)30-14-13-21-19(15-30)22(28-29(21)2)24-27-26-23(33-24)18-7-4-5-8-20(18)25/h4-5,7-12H,3,6,13-15H2,1-2H3
InChIKeyXFUQNKKCZYWDHD-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.98
Rot. Bonds6

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

2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole (PubChem CID 53019077) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
PubChem CID53019077
Molecular FormulaC24H24FN5O3S
Molecular Weight481.55 g/mol
Exact Mass481.16
IUPAC Name2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
SMILESCCCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccccc5F)o4)nn3C)C2)cc1
InChIInChI=1S/C24H24FN5O3S/c1-3-6-16-9-11-17(12-10-16)34(31,32)30-14-13-21-19(15-30)22(28-29(21)2)24-27-26-23(33-24)18-7-4-5-8-20(18)25/h4-5,7-12H,3,6,13-15H2,1-2H3
InChIKeyXFUQNKKCZYWDHD-UHFFFAOYSA-N
XLogP3.98
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole (CID 53019077) is 2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole is CCCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccccc5F)o4)nn3C)C2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
The InChIKey is XFUQNKKCZYWDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c1-3-6-16-9-11-17(12-10-16)34(31,32)30-14-13-21-19(15-30)22(28-29(21)2)24-27-26-23(33-24)18-7-4-5-8-20(18)25/h4-5,7-12H,3,6,13-15H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole has a molecular weight of 481.55 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53019077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).