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

C23H20FN5O2 — CID 53018608

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-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCc2c(c(-c3nc(-c4cccc(F)c4)no3)nn2C)C1
InChIInChI=1S/C23H20FN5O2/c1-14-6-3-4-9-17(14)23(30)29-11-10-19-18(13-29)20(26-28(19)2)22-25-21(27-31-22)15-7-5-8-16(24)12-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyQRSYFGYJMGPAAK-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.78
Rot. Bonds3

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-methylphenyl)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-methylphenyl)methanone (PubChem CID 53018608) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 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-methylphenyl)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-methylphenyl)methanone
PubChem CID53018608
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
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-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCc2c(c(-c3nc(-c4cccc(F)c4)no3)nn2C)C1
InChIInChI=1S/C23H20FN5O2/c1-14-6-3-4-9-17(14)23(30)29-11-10-19-18(13-29)20(26-28(19)2)22-25-21(27-31-22)15-7-5-8-16(24)12-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyQRSYFGYJMGPAAK-UHFFFAOYSA-N
XLogP3.78
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methylphenyl)methanone with MolForge

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Related Compounds

[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
N-ethyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018874
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylphenyl)methanone
CID 53018570
[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone
CID 53018752
(3-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53018490
1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
CID 53018782
[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 87050083
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2,5-difluorophenyl)methanone
CID 83275769
(4-chlorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53018544
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2,4-dimethylphenyl)methanone
CID 53018665
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
CID 53018566
(3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 87050084

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-methylphenyl)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-methylphenyl)methanone (CID 53018608) 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-methylphenyl)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-methylphenyl)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-methylphenyl)methanone is Cc1ccccc1C(=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-methylphenyl)methanone?
The InChIKey is QRSYFGYJMGPAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-14-6-3-4-9-17(14)23(30)29-11-10-19-18(13-29)20(26-28(19)2)22-25-21(27-31-22)15-7-5-8-16(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]-(2-methylphenyl)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-methylphenyl)methanone has a molecular weight of 417.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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-methylphenyl)methanone is sourced from PubChem (CID 53018608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).