[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

C21H18N6O2 — CID 53018752

IUPAC[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
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C21H18N6O2/c1-26-17-9-12-27(21(28)15-7-10-22-11-8-15)13-16(17)18(24-26)20-23-19(25-29-20)14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3
InChIKeyKZNAFHJHTAFXIU-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.73
Rot. Bonds3

About [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

[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 (PubChem CID 53018752) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID53018752
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name[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
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C21H18N6O2/c1-26-17-9-12-27(21(28)15-7-10-22-11-8-15)13-16(17)18(24-26)20-23-19(25-29-20)14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3
InChIKeyKZNAFHJHTAFXIU-UHFFFAOYSA-N
XLogP2.73
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Related Compounds

(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
(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-(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
[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
[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
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-phenoxyethanone
CID 83275732
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-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-fluorophenyl)methanone
CID 53018534
(4-bromophenyl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53018525
(4-chlorophenyl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53018526
[3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
CID 70450021
methyl 2-[[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]benzoate
CID 46390885

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccncc1)C2.
What is the InChIKey of [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?
The InChIKey is KZNAFHJHTAFXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-26-17-9-12-27(21(28)15-7-10-22-11-8-15)13-16(17)18(24-26)20-23-19(25-29-20)14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 386.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 53018752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).