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

C23H22N6O2 — CID 53018800

IUPAC1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
SMILESCn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)Cc1cccnc1)C2
InChIInChI=1S/C23H22N6O2/c1-28-19-9-11-29(21(30)13-17-8-5-10-24-14-17)15-18(19)22(26-28)23-25-20(27-31-23)12-16-6-3-2-4-7-16/h2-8,10,14H,9,11-13,15H2,1H3
InChIKeyQIMQTTQBGNVZIO-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.58
Rot. Bonds5

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

1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone (PubChem CID 53018800) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
PubChem CID53018800
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
SMILESCn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)Cc1cccnc1)C2
InChIInChI=1S/C23H22N6O2/c1-28-19-9-11-29(21(30)13-17-8-5-10-24-14-17)15-18(19)22(26-28)23-25-20(27-31-23)12-16-6-3-2-4-7-16/h2-8,10,14H,9,11-13,15H2,1H3
InChIKeyQIMQTTQBGNVZIO-UHFFFAOYSA-N
XLogP2.58
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone 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 1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone (CID 53018800) is 1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone is Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)Cc1cccnc1)C2.
What is the InChIKey of 1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The InChIKey is QIMQTTQBGNVZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-28-19-9-11-29(21(30)13-17-8-5-10-24-14-17)15-18(19)22(26-28)23-25-20(27-31-23)12-16-6-3-2-4-7-16/h2-8,10,14H,9,11-13,15H2,1H3.
What are the key properties of 1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone has a molecular weight of 414.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 53018800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).