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

C22H20N6O2 — CID 53018675

IUPAC[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
SMILESCn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C22H20N6O2/c1-27-18-10-12-28(22(29)17-9-5-6-11-23-17)14-16(18)20(25-27)21-24-19(26-30-21)13-15-7-3-2-4-8-15/h2-9,11H,10,12-14H2,1H3
InChIKeyMJMGKTRTLRJDCA-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.65
Rot. Bonds4

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

[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone (PubChem CID 53018675) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
PubChem CID53018675
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
SMILESCn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C22H20N6O2/c1-27-18-10-12-28(22(29)17-9-5-6-11-23-17)14-16(18)20(25-27)21-24-19(26-30-21)13-15-7-3-2-4-8-15/h2-9,11H,10,12-14H2,1H3
InChIKeyMJMGKTRTLRJDCA-UHFFFAOYSA-N
XLogP2.65
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone (CID 53018675) is [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone is Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccccn1)C2.
What is the InChIKey of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
The InChIKey is MJMGKTRTLRJDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-27-18-10-12-28(22(29)17-9-5-6-11-23-17)14-16(18)20(25-27)21-24-19(26-30-21)13-15-7-3-2-4-8-15/h2-9,11H,10,12-14H2,1H3.
What are the key properties of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone has a molecular weight of 400.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 53018675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).