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

C24H22FN5O3 — CID 53018582

IUPAC1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)c1
InChIInChI=1S/C24H22FN5O3/c1-29-20-9-10-30(21(31)12-15-5-3-8-18(11-15)32-2)14-19(20)22(27-29)24-26-23(28-33-24)16-6-4-7-17(25)13-16/h3-8,11,13H,9-10,12,14H2,1-2H3
InChIKeyZIYCTCDDBSNBOM-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.41
Rot. Bonds5

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

1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 53018582) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone
PubChem CID53018582
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)c1
InChIInChI=1S/C24H22FN5O3/c1-29-20-9-10-30(21(31)12-15-5-3-8-18(11-15)32-2)14-19(20)22(27-29)24-26-23(28-33-24)16-6-4-7-17(25)13-16/h3-8,11,13H,9-10,12,14H2,1-2H3
InChIKeyZIYCTCDDBSNBOM-UHFFFAOYSA-N
XLogP3.41
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone (CID 53018582) is 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)c1.
What is the InChIKey of 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is ZIYCTCDDBSNBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-29-20-9-10-30(21(31)12-15-5-3-8-18(11-15)32-2)14-19(20)22(27-29)24-26-23(28-33-24)16-6-4-7-17(25)13-16/h3-8,11,13H,9-10,12,14H2,1-2H3.
What are the key properties of 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone?
1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 447.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 53018582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).