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

C23H20FN5O3 — CID 53018610

IUPAC[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)cc1
InChIInChI=1S/C23H20FN5O3/c1-28-19-10-11-29(23(30)14-6-8-17(31-2)9-7-14)13-18(19)20(26-28)22-25-21(27-32-22)15-4-3-5-16(24)12-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyISDZAEPWZUNCEF-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]-(4-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]-(4-methoxyphenyl)methanone (PubChem CID 53018610) 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]-(4-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]-(4-methoxyphenyl)methanone
PubChem CID53018610
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]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)cc1
InChIInChI=1S/C23H20FN5O3/c1-28-19-10-11-29(23(30)14-6-8-17(31-2)9-7-14)13-18(19)20(26-28)22-25-21(27-32-22)15-4-3-5-16(24)12-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyISDZAEPWZUNCEF-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]-(4-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]-(4-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]-(4-methoxyphenyl)methanone (CID 53018610) is [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-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]-(4-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]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)cc1.
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]-(4-methoxyphenyl)methanone?
The InChIKey is ISDZAEPWZUNCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-28-19-10-11-29(23(30)14-6-8-17(31-2)9-7-14)13-18(19)20(26-28)22-25-21(27-32-22)15-4-3-5-16(24)12-15/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]-(4-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]-(4-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]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 53018610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).