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

C19H13ClFN3O2 — CID 137303541

IUPAC6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(-c2ccc(F)cc2)c2[nH]c(-c3ccccc3Cl)c(O)c(=O)c12
InChIInChI=1S/C19H13ClFN3O2/c1-10-15-17(25)18(26)16(13-4-2-3-5-14(13)20)22-19(15)24(23-10)12-8-6-11(21)7-9-12/h2-9,26H,1H3,(H,22,25)
InChIKeyTUTLKQJBLGQRJO-UHFFFAOYSA-N
MW369.78 g/mol
LogP4.19
Rot. Bonds2

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

6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137303541) has the molecular formula C19H13ClFN3O2 and a molecular weight of 369.78 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137303541
Molecular FormulaC19H13ClFN3O2
Molecular Weight369.78 g/mol
Exact Mass369.07
IUPAC Name6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(-c2ccc(F)cc2)c2[nH]c(-c3ccccc3Cl)c(O)c(=O)c12
InChIInChI=1S/C19H13ClFN3O2/c1-10-15-17(25)18(26)16(13-4-2-3-5-14(13)20)22-19(15)24(23-10)12-8-6-11(21)7-9-12/h2-9,26H,1H3,(H,22,25)
InChIKeyTUTLKQJBLGQRJO-UHFFFAOYSA-N
XLogP4.19
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 54.19
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-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137303541) is 6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(-c2ccc(F)cc2)c2[nH]c(-c3ccccc3Cl)c(O)c(=O)c12.
What is the InChIKey of 6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is TUTLKQJBLGQRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2/c1-10-15-17(25)18(26)16(13-4-2-3-5-14(13)20)22-19(15)24(23-10)12-8-6-11(21)7-9-12/h2-9,26H,1H3,(H,22,25).
What are the key properties of 6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 369.78 g/mol, XLogP of 4.19, 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-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137303541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).