[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

C25H25N5O2 — CID 53018665

IUPAC[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
SMILESCc1ccc(C(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)c(C)c1
InChIInChI=1S/C25H25N5O2/c1-16-9-10-19(17(2)13-16)25(31)30-12-11-21-20(15-30)23(27-29(21)3)24-26-22(28-32-24)14-18-7-5-4-6-8-18/h4-10,13H,11-12,14-15H2,1-3H3
InChIKeyQAYFSVZXTFOVAO-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.88
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]-(2,4-dimethylphenyl)methanone

[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 (PubChem CID 53018665) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 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]-(2,4-dimethylphenyl)methanone.

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]-(2,4-dimethylphenyl)methanone
PubChem CID53018665
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name[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
SMILESCc1ccc(C(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)c(C)c1
InChIInChI=1S/C25H25N5O2/c1-16-9-10-19(17(2)13-16)25(31)30-12-11-21-20(15-30)23(27-29(21)3)24-26-22(28-32-24)14-18-7-5-4-6-8-18/h4-10,13H,11-12,14-15H2,1-3H3
InChIKeyQAYFSVZXTFOVAO-UHFFFAOYSA-N
XLogP3.88
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [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 with MolForge

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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]-(2,4-dimethylphenyl)methanone?
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]-(2,4-dimethylphenyl)methanone (CID 53018665) is [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.
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]-(2,4-dimethylphenyl)methanone?
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]-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)c(C)c1.
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]-(2,4-dimethylphenyl)methanone?
The InChIKey is QAYFSVZXTFOVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-9-10-19(17(2)13-16)25(31)30-12-11-21-20(15-30)23(27-29(21)3)24-26-22(28-32-24)14-18-7-5-4-6-8-18/h4-10,13H,11-12,14-15H2,1-3H3.
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]-(2,4-dimethylphenyl)methanone?
[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 has a molecular weight of 427.51 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 53018665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).