6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C20H14BrF4N3O2 — CID 22566230

IUPAC6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(Br)cc2F)CC3)cc1
InChIInChI=1S/C20H14BrF4N3O2/c1-30-13-5-3-12(4-6-13)28-17-14(18(26-28)20(23,24)25)8-9-27(19(17)29)16-7-2-11(21)10-15(16)22/h2-7,10H,8-9H2,1H3
InChIKeyJYLJOZLUJOUFAO-UHFFFAOYSA-N
MW484.25 g/mol
LogP5.00
Rot. Bonds3

About 6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 22566230) has the molecular formula C20H14BrF4N3O2 and a molecular weight of 484.25 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID22566230
Molecular FormulaC20H14BrF4N3O2
Molecular Weight484.25 g/mol
Exact Mass483.02
IUPAC Name6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(Br)cc2F)CC3)cc1
InChIInChI=1S/C20H14BrF4N3O2/c1-30-13-5-3-12(4-6-13)28-17-14(18(26-28)20(23,24)25)8-9-27(19(17)29)16-7-2-11(21)10-15(16)22/h2-7,10H,8-9H2,1H3
InChIKeyJYLJOZLUJOUFAO-UHFFFAOYSA-N
XLogP5.00
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.25
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 22566230) is 6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(Br)cc2F)CC3)cc1.
What is the InChIKey of 6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is JYLJOZLUJOUFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF4N3O2/c1-30-13-5-3-12(4-6-13)28-17-14(18(26-28)20(23,24)25)8-9-27(19(17)29)16-7-2-11(21)10-15(16)22/h2-7,10H,8-9H2,1H3.
What are the key properties of 6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 484.25 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 22566230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).