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

C22H25N7O3S — CID 53019058

IUPAC2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3c(C)nn(C)c3C)CC4)o2)cc1
InChIInChI=1S/C22H25N7O3S/c1-13-6-8-16(9-7-13)21-23-24-22(32-21)19-17-12-29(11-10-18(17)28(5)26-19)33(30,31)20-14(2)25-27(4)15(20)3/h6-9H,10-12H2,1-5H3
InChIKeyDSMZXBBTIVAZFN-UHFFFAOYSA-N
MW467.56 g/mol
LogP2.54
Rot. Bonds4

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

2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole (PubChem CID 53019058) has the molecular formula C22H25N7O3S and a molecular weight of 467.56 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
PubChem CID53019058
Molecular FormulaC22H25N7O3S
Molecular Weight467.56 g/mol
Exact Mass467.17
IUPAC Name2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3c(C)nn(C)c3C)CC4)o2)cc1
InChIInChI=1S/C22H25N7O3S/c1-13-6-8-16(9-7-13)21-23-24-22(32-21)19-17-12-29(11-10-18(17)28(5)26-19)33(30,31)20-14(2)25-27(4)15(20)3/h6-9H,10-12H2,1-5H3
InChIKeyDSMZXBBTIVAZFN-UHFFFAOYSA-N
XLogP2.54
TPSA111.94 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole (CID 53019058) is 2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3c(C)nn(C)c3C)CC4)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
The InChIKey is DSMZXBBTIVAZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3S/c1-13-6-8-16(9-7-13)21-23-24-22(32-21)19-17-12-29(11-10-18(17)28(5)26-19)33(30,31)20-14(2)25-27(4)15(20)3/h6-9H,10-12H2,1-5H3.
What are the key properties of 2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole has a molecular weight of 467.56 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53019058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).