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

C23H20FN5O3 — CID 83275727

IUPAC[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCc2c(c(-c3nc(-c4cccc(F)c4)no3)nn2C)C1
InChIInChI=1S/C23H20FN5O3/c1-28-18-10-11-29(23(30)16-8-3-4-9-19(16)31-2)13-17(18)20(26-28)22-25-21(27-32-22)14-6-5-7-15(24)12-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyBKGCDDJNTRQOGO-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.48
Rot. Bonds4

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

[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone (PubChem CID 83275727) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
PubChem CID83275727
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCc2c(c(-c3nc(-c4cccc(F)c4)no3)nn2C)C1
InChIInChI=1S/C23H20FN5O3/c1-28-18-10-11-29(23(30)16-8-3-4-9-19(16)31-2)13-17(18)20(26-28)22-25-21(27-32-22)14-6-5-7-15(24)12-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyBKGCDDJNTRQOGO-UHFFFAOYSA-N
XLogP3.48
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone (CID 83275727) is [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCc2c(c(-c3nc(-c4cccc(F)c4)no3)nn2C)C1.
What is the InChIKey of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone?
The InChIKey is BKGCDDJNTRQOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-28-18-10-11-29(23(30)16-8-3-4-9-19(16)31-2)13-17(18)20(26-28)22-25-21(27-32-22)14-6-5-7-15(24)12-14/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone?
[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone has a molecular weight of 433.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 83275727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).