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

C18H20FN5O3S — CID 53011817

IUPAC2-(4-fluorophenyl)-5-(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-1,3,4-oxadiazole
SMILESCCCS(=O)(=O)N1CCc2c(c(-c3nnc(-c4ccc(F)cc4)o3)nn2C)C1
InChIInChI=1S/C18H20FN5O3S/c1-3-10-28(25,26)24-9-8-15-14(11-24)16(22-23(15)2)18-21-20-17(27-18)12-4-6-13(19)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeySDVUFRBXDLCQRZ-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.37
Rot. Bonds5

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

2-(4-fluorophenyl)-5-(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-1,3,4-oxadiazole (PubChem CID 53011817) has the molecular formula C18H20FN5O3S and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(1-methyl-5-propylsulfonyl-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-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-1,3,4-oxadiazole
PubChem CID53011817
Molecular FormulaC18H20FN5O3S
Molecular Weight405.46 g/mol
Exact Mass405.13
IUPAC Name2-(4-fluorophenyl)-5-(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-1,3,4-oxadiazole
SMILESCCCS(=O)(=O)N1CCc2c(c(-c3nnc(-c4ccc(F)cc4)o3)nn2C)C1
InChIInChI=1S/C18H20FN5O3S/c1-3-10-28(25,26)24-9-8-15-14(11-24)16(22-23(15)2)18-21-20-17(27-18)12-4-6-13(19)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeySDVUFRBXDLCQRZ-UHFFFAOYSA-N
XLogP2.37
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.37
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-propylsulfonyl-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-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-1,3,4-oxadiazole (CID 53011817) is 2-(4-fluorophenyl)-5-(1-methyl-5-propylsulfonyl-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-propylsulfonyl-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-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-1,3,4-oxadiazole is CCCS(=O)(=O)N1CCc2c(c(-c3nnc(-c4ccc(F)cc4)o3)nn2C)C1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-1,3,4-oxadiazole?
The InChIKey is SDVUFRBXDLCQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3S/c1-3-10-28(25,26)24-9-8-15-14(11-24)16(22-23(15)2)18-21-20-17(27-18)12-4-6-13(19)7-5-12/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5-(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-1,3,4-oxadiazole has a molecular weight of 405.46 g/mol, XLogP of 2.37, 5 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-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 53011817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).