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

C20H21N7O3S — CID 50833926

IUPAC5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCc2c(c(-c3nc(-c4ccccc4)no3)nn2C)C1
InChIInChI=1S/C20H21N7O3S/c1-12-18(13(2)23-22-12)31(28,29)27-10-9-16-15(11-27)17(24-26(16)3)20-21-19(25-30-20)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,22,23)
InChIKeySUESRBDURTWKKA-UHFFFAOYSA-N
MW439.50 g/mol
LogP2.22
Rot. Bonds4

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

5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 50833926) has the molecular formula C20H21N7O3S and a molecular weight of 439.50 g/mol. Its IUPAC name is 5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID50833926
Molecular FormulaC20H21N7O3S
Molecular Weight439.50 g/mol
Exact Mass439.14
IUPAC Name5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCc2c(c(-c3nc(-c4ccccc4)no3)nn2C)C1
InChIInChI=1S/C20H21N7O3S/c1-12-18(13(2)23-22-12)31(28,29)27-10-9-16-15(11-27)17(24-26(16)3)20-21-19(25-30-20)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,22,23)
InChIKeySUESRBDURTWKKA-UHFFFAOYSA-N
XLogP2.22
TPSA122.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole (CID 50833926) is 5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole is Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2c(c(-c3nc(-c4ccccc4)no3)nn2C)C1.
What is the InChIKey of 5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is SUESRBDURTWKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3S/c1-12-18(13(2)23-22-12)31(28,29)27-10-9-16-15(11-27)17(24-26(16)3)20-21-19(25-30-20)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,22,23).
What are the key properties of 5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 439.50 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 50833926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).