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

C20H15ClFN3O2 — CID 137303515

IUPAC6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one
SMILESCn1nc2[nH]c(-c3ccccc3Cl)c(O)c(=O)c2c1Cc1ccccc1F
InChIInChI=1S/C20H15ClFN3O2/c1-25-15(10-11-6-2-5-9-14(11)22)16-18(26)19(27)17(23-20(16)24-25)12-7-3-4-8-13(12)21/h2-9,27H,10H2,1H3,(H,23,24)
InChIKeySELJXDLMWGCSDU-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.02
Rot. Bonds3

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

6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one (PubChem CID 137303515) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one
PubChem CID137303515
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one
SMILESCn1nc2[nH]c(-c3ccccc3Cl)c(O)c(=O)c2c1Cc1ccccc1F
InChIInChI=1S/C20H15ClFN3O2/c1-25-15(10-11-6-2-5-9-14(11)22)16-18(26)19(27)17(23-20(16)24-25)12-7-3-4-8-13(12)21/h2-9,27H,10H2,1H3,(H,23,24)
InChIKeySELJXDLMWGCSDU-UHFFFAOYSA-N
XLogP4.02
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one?
The IUPAC name of 6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one (CID 137303515) is 6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one.
What is the SMILES notation for 6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one?
The canonical SMILES for 6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one is Cn1nc2[nH]c(-c3ccccc3Cl)c(O)c(=O)c2c1Cc1ccccc1F.
What is the InChIKey of 6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one?
The InChIKey is SELJXDLMWGCSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c1-25-15(10-11-6-2-5-9-14(11)22)16-18(26)19(27)17(23-20(16)24-25)12-7-3-4-8-13(12)21/h2-9,27H,10H2,1H3,(H,23,24).
What are the key properties of 6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one?
6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one has a molecular weight of 383.81 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one is sourced from PubChem (CID 137303515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).