6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one

C20H15ClFN3O2 — CID 150505736

IUPAC6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1cc(F)ccc1-n1nc(C)c2c(=O)c(O)c(-c3ccccc3Cl)[nH]c21
InChIInChI=1S/C20H15ClFN3O2/c1-10-9-12(22)7-8-15(10)25-20-16(11(2)24-25)18(26)19(27)17(23-20)13-5-3-4-6-14(13)21/h3-9,27H,1-2H3,(H,23,26)
InChIKeyHYTRTDSKEIZOAS-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.50
Rot. Bonds2

About 6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one

6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 150505736) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID150505736
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1cc(F)ccc1-n1nc(C)c2c(=O)c(O)c(-c3ccccc3Cl)[nH]c21
InChIInChI=1S/C20H15ClFN3O2/c1-10-9-12(22)7-8-15(10)25-20-16(11(2)24-25)18(26)19(27)17(23-20)13-5-3-4-6-14(13)21/h3-9,27H,1-2H3,(H,23,26)
InChIKeyHYTRTDSKEIZOAS-UHFFFAOYSA-N
XLogP4.50
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 150505736) is 6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1cc(F)ccc1-n1nc(C)c2c(=O)c(O)c(-c3ccccc3Cl)[nH]c21.
What is the InChIKey of 6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is HYTRTDSKEIZOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c1-10-9-12(22)7-8-15(10)25-20-16(11(2)24-25)18(26)19(27)17(23-20)13-5-3-4-6-14(13)21/h3-9,27H,1-2H3,(H,23,26).
What are the key properties of 6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 383.81 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 150505736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).