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

C20H21N5O2 — CID 53018731

IUPAC[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCc2c(c(-c3nc(C4CC4)no3)nn2C)C1
InChIInChI=1S/C20H21N5O2/c1-12-5-3-4-6-14(12)20(26)25-10-9-16-15(11-25)17(22-24(16)2)19-21-18(23-27-19)13-7-8-13/h3-6,13H,7-11H2,1-2H3
InChIKeyNNRVEHTWKKGFMH-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.85
Rot. Bonds3

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

[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone (PubChem CID 53018731) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone
PubChem CID53018731
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCc2c(c(-c3nc(C4CC4)no3)nn2C)C1
InChIInChI=1S/C20H21N5O2/c1-12-5-3-4-6-14(12)20(26)25-10-9-16-15(11-25)17(22-24(16)2)19-21-18(23-27-19)13-7-8-13/h3-6,13H,7-11H2,1-2H3
InChIKeyNNRVEHTWKKGFMH-UHFFFAOYSA-N
XLogP2.85
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone 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-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone (CID 53018731) is [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCc2c(c(-c3nc(C4CC4)no3)nn2C)C1.
What is the InChIKey of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone?
The InChIKey is NNRVEHTWKKGFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-5-3-4-6-14(12)20(26)25-10-9-16-15(11-25)17(22-24(16)2)19-21-18(23-27-19)13-7-8-13/h3-6,13H,7-11H2,1-2H3.
What are the key properties of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone?
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone has a molecular weight of 363.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 53018731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).