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

C18H17N7O3S — CID 50834129

IUPAC5-[5-(1H-imidazol-5-ylsulfonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(S(=O)(=O)c1cnc[nH]1)C2
InChIInChI=1S/C18H17N7O3S/c1-24-14-7-8-25(29(26,27)15-9-19-11-20-15)10-13(14)16(22-24)18-21-17(23-28-18)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,19,20)
InChIKeyMYGZKIRAQRAPII-UHFFFAOYSA-N
MW411.45 g/mol
LogP1.61
Rot. Bonds4

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

5-[5-(1H-imidazol-5-ylsulfonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 50834129) has the molecular formula C18H17N7O3S and a molecular weight of 411.45 g/mol. Its IUPAC name is 5-[5-(1H-imidazol-5-ylsulfonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(1H-imidazol-5-ylsulfonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID50834129
Molecular FormulaC18H17N7O3S
Molecular Weight411.45 g/mol
Exact Mass411.11
IUPAC Name5-[5-(1H-imidazol-5-ylsulfonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(S(=O)(=O)c1cnc[nH]1)C2
InChIInChI=1S/C18H17N7O3S/c1-24-14-7-8-25(29(26,27)15-9-19-11-20-15)10-13(14)16(22-24)18-21-17(23-28-18)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,19,20)
InChIKeyMYGZKIRAQRAPII-UHFFFAOYSA-N
XLogP1.61
TPSA122.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-(1H-imidazol-5-ylsulfonyl)-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-(1H-imidazol-5-ylsulfonyl)-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-(1H-imidazol-5-ylsulfonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole (CID 50834129) is 5-[5-(1H-imidazol-5-ylsulfonyl)-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-(1H-imidazol-5-ylsulfonyl)-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-(1H-imidazol-5-ylsulfonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole is Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(S(=O)(=O)c1cnc[nH]1)C2.
What is the InChIKey of 5-[5-(1H-imidazol-5-ylsulfonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is MYGZKIRAQRAPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O3S/c1-24-14-7-8-25(29(26,27)15-9-19-11-20-15)10-13(14)16(22-24)18-21-17(23-28-18)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,19,20).
What are the key properties of 5-[5-(1H-imidazol-5-ylsulfonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
5-[5-(1H-imidazol-5-ylsulfonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 411.45 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1H-imidazol-5-ylsulfonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 50834129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).