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

C24H25N5O3S — CID 53019126

IUPAC2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(C)c(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccccc5)o4)nn3C)C2)c(C)c1
InChIInChI=1S/C24H25N5O3S/c1-15-12-16(2)22(17(3)13-15)33(30,31)29-11-10-20-19(14-29)21(27-28(20)4)24-26-25-23(32-24)18-8-6-5-7-9-18/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyBZQVDDMZWKDWFV-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.81
Rot. Bonds4

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

2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 53019126) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID53019126
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(C)c(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccccc5)o4)nn3C)C2)c(C)c1
InChIInChI=1S/C24H25N5O3S/c1-15-12-16(2)22(17(3)13-15)33(30,31)29-11-10-20-19(14-29)21(27-28(20)4)24-26-25-23(32-24)18-8-6-5-7-9-18/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyBZQVDDMZWKDWFV-UHFFFAOYSA-N
XLogP3.81
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-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-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole (CID 53019126) is 2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole is Cc1cc(C)c(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccccc5)o4)nn3C)C2)c(C)c1.
What is the InChIKey of 2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is BZQVDDMZWKDWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-15-12-16(2)22(17(3)13-15)33(30,31)29-11-10-20-19(14-29)21(27-28(20)4)24-26-25-23(32-24)18-8-6-5-7-9-18/h5-9,12-13H,10-11,14H2,1-4H3.
What are the key properties of 2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole?
2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 463.56 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 53019126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).