6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H18F2N4O — CID 134798324

IUPAC6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCCc3ccccc3F)cc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C22H18F2N4O/c1-28-21-18(13-26-28)17(12-20(27-21)15-6-8-16(23)9-7-15)22(29)25-11-10-14-4-2-3-5-19(14)24/h2-9,12-13H,10-11H2,1H3,(H,25,29)
InChIKeyRNFDFZRCLWIEOJ-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.89
Rot. Bonds5

About 6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134798324) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134798324
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCCc3ccccc3F)cc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C22H18F2N4O/c1-28-21-18(13-26-28)17(12-20(27-21)15-6-8-16(23)9-7-15)22(29)25-11-10-14-4-2-3-5-19(14)24/h2-9,12-13H,10-11H2,1H3,(H,25,29)
InChIKeyRNFDFZRCLWIEOJ-UHFFFAOYSA-N
XLogP3.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134798324) is 6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCCc3ccccc3F)cc(-c3ccc(F)cc3)nc21.
What is the InChIKey of 6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RNFDFZRCLWIEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c1-28-21-18(13-26-28)17(12-20(27-21)15-6-8-16(23)9-7-15)22(29)25-11-10-14-4-2-3-5-19(14)24/h2-9,12-13H,10-11H2,1H3,(H,25,29).
What are the key properties of 6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134798324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).