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

C21H16F3N5O3S — CID 53011820

IUPAC2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESCn1nc(-c2nnc(-c3ccc(F)cc3)o2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C21H16F3N5O3S/c1-28-17-8-9-29(33(30,31)18-7-6-14(23)10-16(18)24)11-15(17)19(27-28)21-26-25-20(32-21)12-2-4-13(22)5-3-12/h2-7,10H,8-9,11H2,1H3
InChIKeyRFNZJDNOBSSYRM-UHFFFAOYSA-N
MW475.45 g/mol
LogP3.30
Rot. Bonds4

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

2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 53011820) has the molecular formula C21H16F3N5O3S and a molecular weight of 475.45 g/mol. Its IUPAC name is 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID53011820
Molecular FormulaC21H16F3N5O3S
Molecular Weight475.45 g/mol
Exact Mass475.09
IUPAC Name2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESCn1nc(-c2nnc(-c3ccc(F)cc3)o2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C21H16F3N5O3S/c1-28-17-8-9-29(33(30,31)18-7-6-14(23)10-16(18)24)11-15(17)19(27-28)21-26-25-20(32-21)12-2-4-13(22)5-3-12/h2-7,10H,8-9,11H2,1H3
InChIKeyRFNZJDNOBSSYRM-UHFFFAOYSA-N
XLogP3.30
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 53011820) is 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is Cn1nc(-c2nnc(-c3ccc(F)cc3)o2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1F)C2.
What is the InChIKey of 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is RFNZJDNOBSSYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O3S/c1-28-17-8-9-29(33(30,31)18-7-6-14(23)10-16(18)24)11-15(17)19(27-28)21-26-25-20(32-21)12-2-4-13(22)5-3-12/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 475.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53011820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).