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

C25H25N5O2 — CID 53018673

IUPAC1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1
InChIInChI=1S/C25H25N5O2/c1-17-8-6-7-11-19(17)15-23(31)30-13-12-21-20(16-30)24(27-29(21)2)25-26-22(28-32-25)14-18-9-4-3-5-10-18/h3-11H,12-16H2,1-2H3
InChIKeyMIHIRSNCUOJFRJ-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.50
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-(2-methylphenyl)ethanone

1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone (PubChem CID 53018673) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 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-(2-methylphenyl)ethanone.

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-(2-methylphenyl)ethanone
PubChem CID53018673
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
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-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1
InChIInChI=1S/C25H25N5O2/c1-17-8-6-7-11-19(17)15-23(31)30-13-12-21-20(16-30)24(27-29(21)2)25-26-22(28-32-25)14-18-9-4-3-5-10-18/h3-11H,12-16H2,1-2H3
InChIKeyMIHIRSNCUOJFRJ-UHFFFAOYSA-N
XLogP3.50
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-methylphenyl)ethanone with MolForge

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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-(2-methylphenyl)ethanone?
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-(2-methylphenyl)ethanone (CID 53018673) 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-(2-methylphenyl)ethanone.
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-(2-methylphenyl)ethanone?
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-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1.
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-(2-methylphenyl)ethanone?
The InChIKey is MIHIRSNCUOJFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-17-8-6-7-11-19(17)15-23(31)30-13-12-21-20(16-30)24(27-29(21)2)25-26-22(28-32-25)14-18-9-4-3-5-10-18/h3-11H,12-16H2,1-2H3.
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-(2-methylphenyl)ethanone?
1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 427.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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-(2-methylphenyl)ethanone is sourced from PubChem (CID 53018673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).