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

C23H20FN5O4S — CID 53019025

IUPAC1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccc(F)cc5)o4)nn3C)C2)cc1
InChIInChI=1S/C23H20FN5O4S/c1-14(30)15-5-9-18(10-6-15)34(31,32)29-12-11-20-19(13-29)21(27-28(20)2)23-26-25-22(33-23)16-3-7-17(24)8-4-16/h3-10H,11-13H2,1-2H3
InChIKeyMBGNKDYUCNPFQC-UHFFFAOYSA-N
MW481.51 g/mol
LogP3.23
Rot. Bonds5

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

1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone (PubChem CID 53019025) has the molecular formula C23H20FN5O4S and a molecular weight of 481.51 g/mol. Its IUPAC name is 1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone
PubChem CID53019025
Molecular FormulaC23H20FN5O4S
Molecular Weight481.51 g/mol
Exact Mass481.12
IUPAC Name1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccc(F)cc5)o4)nn3C)C2)cc1
InChIInChI=1S/C23H20FN5O4S/c1-14(30)15-5-9-18(10-6-15)34(31,32)29-12-11-20-19(13-29)21(27-28(20)2)23-26-25-22(33-23)16-3-7-17(24)8-4-16/h3-10H,11-13H2,1-2H3
InChIKeyMBGNKDYUCNPFQC-UHFFFAOYSA-N
XLogP3.23
TPSA111.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone (CID 53019025) is 1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccc(F)cc5)o4)nn3C)C2)cc1.
What is the InChIKey of 1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone?
The InChIKey is MBGNKDYUCNPFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O4S/c1-14(30)15-5-9-18(10-6-15)34(31,32)29-12-11-20-19(13-29)21(27-28(20)2)23-26-25-22(33-23)16-3-7-17(24)8-4-16/h3-10H,11-13H2,1-2H3.
What are the key properties of 1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone?
1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone has a molecular weight of 481.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]ethanone is sourced from PubChem (CID 53019025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).