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

C17H18FN5O3S — CID 53018927

IUPAC5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2nn(C)c3c2CN(S(=O)(=O)Cc2ccc(F)cc2)CC3)n1
InChIInChI=1S/C17H18FN5O3S/c1-11-19-17(26-21-11)16-14-9-23(8-7-15(14)22(2)20-16)27(24,25)10-12-3-5-13(18)6-4-12/h3-6H,7-10H2,1-2H3
InChIKeyJMLHYWIXLZXQTB-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.81
Rot. Bonds4

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

5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 53018927) has the molecular formula C17H18FN5O3S and a molecular weight of 391.43 g/mol. Its IUPAC name is 5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID53018927
Molecular FormulaC17H18FN5O3S
Molecular Weight391.43 g/mol
Exact Mass391.11
IUPAC Name5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2nn(C)c3c2CN(S(=O)(=O)Cc2ccc(F)cc2)CC3)n1
InChIInChI=1S/C17H18FN5O3S/c1-11-19-17(26-21-11)16-14-9-23(8-7-15(14)22(2)20-16)27(24,25)10-12-3-5-13(18)6-4-12/h3-6H,7-10H2,1-2H3
InChIKeyJMLHYWIXLZXQTB-UHFFFAOYSA-N
XLogP1.81
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 53018927) is 5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2nn(C)c3c2CN(S(=O)(=O)Cc2ccc(F)cc2)CC3)n1.
What is the InChIKey of 5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is JMLHYWIXLZXQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3S/c1-11-19-17(26-21-11)16-14-9-23(8-7-15(14)22(2)20-16)27(24,25)10-12-3-5-13(18)6-4-12/h3-6H,7-10H2,1-2H3.
What are the key properties of 5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 391.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 53018927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).