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

C24H22FN5O2 — CID 53018547

IUPAC(3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)cc1C
InChIInChI=1S/C24H22FN5O2/c1-14-4-5-17(12-15(14)2)24(31)30-11-10-20-19(13-30)21(27-29(20)3)23-26-22(28-32-23)16-6-8-18(25)9-7-16/h4-9,12H,10-11,13H2,1-3H3
InChIKeyKZTHJHAFXLAQPS-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.09
Rot. Bonds3

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

(3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 53018547) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID53018547
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name(3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)cc1C
InChIInChI=1S/C24H22FN5O2/c1-14-4-5-17(12-15(14)2)24(31)30-11-10-20-19(13-30)21(27-29(20)3)23-26-22(28-32-23)16-6-8-18(25)9-7-16/h4-9,12H,10-11,13H2,1-3H3
InChIKeyKZTHJHAFXLAQPS-UHFFFAOYSA-N
XLogP4.09
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 53018547) is (3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is Cc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is KZTHJHAFXLAQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-14-4-5-17(12-15(14)2)24(31)30-11-10-20-19(13-30)21(27-29(20)3)23-26-22(28-32-23)16-6-8-18(25)9-7-16/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
(3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 431.47 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 53018547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).