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

C24H22FN5O2 — CID 53018636

IUPAC1-[3-[3-(2-fluorophenyl)-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(-c4ccccc4F)no3)nn2C)C1
InChIInChI=1S/C24H22FN5O2/c1-15-7-3-4-8-16(15)13-21(31)30-12-11-20-18(14-30)22(27-29(20)2)24-26-23(28-32-24)17-9-5-6-10-19(17)25/h3-10H,11-14H2,1-2H3
InChIKeyCXFZETDDXYONNW-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.71
Rot. Bonds4

About 1-[3-[3-(2-fluorophenyl)-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-(2-fluorophenyl)-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 53018636) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 1-[3-[3-(2-fluorophenyl)-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-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone
PubChem CID53018636
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name1-[3-[3-(2-fluorophenyl)-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(-c4ccccc4F)no3)nn2C)C1
InChIInChI=1S/C24H22FN5O2/c1-15-7-3-4-8-16(15)13-21(31)30-12-11-20-18(14-30)22(27-29(20)2)24-26-23(28-32-24)17-9-5-6-10-19(17)25/h3-10H,11-14H2,1-2H3
InChIKeyCXFZETDDXYONNW-UHFFFAOYSA-N
XLogP3.71
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[3-(2-fluorophenyl)-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-(2-fluorophenyl)-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-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenyl)ethanone (CID 53018636) is 1-[3-[3-(2-fluorophenyl)-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-(2-fluorophenyl)-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-(2-fluorophenyl)-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(-c4ccccc4F)no3)nn2C)C1.
What is the InChIKey of 1-[3-[3-(2-fluorophenyl)-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 CXFZETDDXYONNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-15-7-3-4-8-16(15)13-21(31)30-12-11-20-18(14-30)22(27-29(20)2)24-26-23(28-32-24)17-9-5-6-10-19(17)25/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-[3-[3-(2-fluorophenyl)-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-(2-fluorophenyl)-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 431.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-fluorophenyl)-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 53018636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).