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

C20H23N5O3S — CID 53018934

IUPAC3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(C5CC5)no4)nn3C)C2)cc1C
InChIInChI=1S/C20H23N5O3S/c1-12-4-7-15(10-13(12)2)29(26,27)25-9-8-17-16(11-25)18(22-24(17)3)20-21-19(23-28-20)14-5-6-14/h4,7,10,14H,5-6,8-9,11H2,1-3H3
InChIKeyGZGHTRWPODCHTH-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.71
Rot. Bonds4

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

3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole (PubChem CID 53018934) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole
PubChem CID53018934
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(C5CC5)no4)nn3C)C2)cc1C
InChIInChI=1S/C20H23N5O3S/c1-12-4-7-15(10-13(12)2)29(26,27)25-9-8-17-16(11-25)18(22-24(17)3)20-21-19(23-28-20)14-5-6-14/h4,7,10,14H,5-6,8-9,11H2,1-3H3
InChIKeyGZGHTRWPODCHTH-UHFFFAOYSA-N
XLogP2.71
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole (CID 53018934) is 3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole is Cc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(C5CC5)no4)nn3C)C2)cc1C.
What is the InChIKey of 3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole?
The InChIKey is GZGHTRWPODCHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-12-4-7-15(10-13(12)2)29(26,27)25-9-8-17-16(11-25)18(22-24(17)3)20-21-19(23-28-20)14-5-6-14/h4,7,10,14H,5-6,8-9,11H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole has a molecular weight of 413.50 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53018934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).