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

C21H18FN5O2S — CID 53018553

IUPAC[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)s1
InChIInChI=1S/C21H18FN5O2S/c1-12-3-8-17(30-12)21(28)27-10-9-16-15(11-27)18(24-26(16)2)20-23-19(25-29-20)13-4-6-14(22)7-5-13/h3-8H,9-11H2,1-2H3
InChIKeyLBRNJFSJBNCLPL-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.84
Rot. Bonds3

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

[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 53018553) has the molecular formula C21H18FN5O2S and a molecular weight of 423.47 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID53018553
Molecular FormulaC21H18FN5O2S
Molecular Weight423.47 g/mol
Exact Mass423.12
IUPAC Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)s1
InChIInChI=1S/C21H18FN5O2S/c1-12-3-8-17(30-12)21(28)27-10-9-16-15(11-27)18(24-26(16)2)20-23-19(25-29-20)13-4-6-14(22)7-5-13/h3-8H,9-11H2,1-2H3
InChIKeyLBRNJFSJBNCLPL-UHFFFAOYSA-N
XLogP3.84
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone (CID 53018553) is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)s1.
What is the InChIKey of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is LBRNJFSJBNCLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S/c1-12-3-8-17(30-12)21(28)27-10-9-16-15(11-27)18(24-26(16)2)20-23-19(25-29-20)13-4-6-14(22)7-5-13/h3-8H,9-11H2,1-2H3.
What are the key properties of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone?
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 423.47 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 53018553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).