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

C16H16FN5O3S — CID 53018906

IUPAC5-[5-(3-fluorophenyl)sulfonyl-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)c2cccc(F)c2)CC3)n1
InChIInChI=1S/C16H16FN5O3S/c1-10-18-16(25-20-10)15-13-9-22(7-6-14(13)21(2)19-15)26(23,24)12-5-3-4-11(17)8-12/h3-5,8H,6-7,9H2,1-2H3
InChIKeyCIQJLVRCXXBHNS-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.66
Rot. Bonds3

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

5-[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 53018906) has the molecular formula C16H16FN5O3S and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID53018906
Molecular FormulaC16H16FN5O3S
Molecular Weight377.40 g/mol
Exact Mass377.10
IUPAC Name5-[5-(3-fluorophenyl)sulfonyl-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)c2cccc(F)c2)CC3)n1
InChIInChI=1S/C16H16FN5O3S/c1-10-18-16(25-20-10)15-13-9-22(7-6-14(13)21(2)19-15)26(23,24)12-5-3-4-11(17)8-12/h3-5,8H,6-7,9H2,1-2H3
InChIKeyCIQJLVRCXXBHNS-UHFFFAOYSA-N
XLogP1.66
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-fluorophenyl)sulfonyl-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-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 53018906) is 5-[5-(3-fluorophenyl)sulfonyl-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-(3-fluorophenyl)sulfonyl-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-(3-fluorophenyl)sulfonyl-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)c2cccc(F)c2)CC3)n1.
What is the InChIKey of 5-[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is CIQJLVRCXXBHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3S/c1-10-18-16(25-20-10)15-13-9-22(7-6-14(13)21(2)19-15)26(23,24)12-5-3-4-11(17)8-12/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 5-[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 377.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 53018906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).