4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one

C24H20FN5O3S — CID 146569143

IUPAC4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one
SMILESCS(=O)(=O)c1cccc(-c2[nH]n(-c3nc4ncccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)c1
InChIInChI=1S/C24H20FN5O3S/c1-34(32,33)18-5-2-4-16(14-18)21-19(12-9-15-7-10-17(25)11-8-15)23(31)30(29-21)24-27-20-6-3-13-26-22(20)28-24/h2-8,10-11,13-14,29H,9,12H2,1H3,(H,26,27,28)
InChIKeyJPMMWLFPONFHRN-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.43
Rot. Bonds6

About 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one

4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one (PubChem CID 146569143) has the molecular formula C24H20FN5O3S and a molecular weight of 477.52 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one
PubChem CID146569143
Molecular FormulaC24H20FN5O3S
Molecular Weight477.52 g/mol
Exact Mass477.13
IUPAC Name4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one
SMILESCS(=O)(=O)c1cccc(-c2[nH]n(-c3nc4ncccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)c1
InChIInChI=1S/C24H20FN5O3S/c1-34(32,33)18-5-2-4-16(14-18)21-19(12-9-15-7-10-17(25)11-8-15)23(31)30(29-21)24-27-20-6-3-13-26-22(20)28-24/h2-8,10-11,13-14,29H,9,12H2,1H3,(H,26,27,28)
InChIKeyJPMMWLFPONFHRN-UHFFFAOYSA-N
XLogP3.43
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one (CID 146569143) is 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one is CS(=O)(=O)c1cccc(-c2[nH]n(-c3nc4ncccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)c1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one?
The InChIKey is JPMMWLFPONFHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3S/c1-34(32,33)18-5-2-4-16(14-18)21-19(12-9-15-7-10-17(25)11-8-15)23(31)30(29-21)24-27-20-6-3-13-26-22(20)28-24/h2-8,10-11,13-14,29H,9,12H2,1H3,(H,26,27,28).
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one?
4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one has a molecular weight of 477.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 146569143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).