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

C21H17F2N5O3S — CID 53019160

IUPAC2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCn1nc(-c2nnc(-c3ccccc3)o2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C21H17F2N5O3S/c1-27-17-9-10-28(32(29,30)18-8-7-14(22)11-16(18)23)12-15(17)19(26-27)21-25-24-20(31-21)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyGPGZQNBVJAJNNM-UHFFFAOYSA-N
MW457.46 g/mol
LogP3.16
Rot. Bonds4

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

2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 53019160) has the molecular formula C21H17F2N5O3S and a molecular weight of 457.46 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-phenyl-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-phenyl-1,3,4-oxadiazole
PubChem CID53019160
Molecular FormulaC21H17F2N5O3S
Molecular Weight457.46 g/mol
Exact Mass457.10
IUPAC Name2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCn1nc(-c2nnc(-c3ccccc3)o2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C21H17F2N5O3S/c1-27-17-9-10-28(32(29,30)18-8-7-14(22)11-16(18)23)12-15(17)19(26-27)21-25-24-20(31-21)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyGPGZQNBVJAJNNM-UHFFFAOYSA-N
XLogP3.16
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.16
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-phenyl-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-phenyl-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-phenyl-1,3,4-oxadiazole (CID 53019160) is 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-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-phenyl-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-phenyl-1,3,4-oxadiazole is Cn1nc(-c2nnc(-c3ccccc3)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-phenyl-1,3,4-oxadiazole?
The InChIKey is GPGZQNBVJAJNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O3S/c1-27-17-9-10-28(32(29,30)18-8-7-14(22)11-16(18)23)12-15(17)19(26-27)21-25-24-20(31-21)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3.
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-phenyl-1,3,4-oxadiazole?
2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 457.46 g/mol, XLogP of 3.16, 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-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 53019160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).