N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H14ClFN4O — CID 134802869

IUPACN-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3cccc(Cl)c3)cc(-c3ccccc3F)nc21
InChIInChI=1S/C20H14ClFN4O/c1-26-19-16(11-23-26)15(20(27)24-13-6-4-5-12(21)9-13)10-18(25-19)14-7-2-3-8-17(14)22/h2-11H,1H3,(H,24,27)
InChIKeyXRIZPDJGEBBVKE-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.68
Rot. Bonds3

About N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802869) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802869
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC NameN-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3cccc(Cl)c3)cc(-c3ccccc3F)nc21
InChIInChI=1S/C20H14ClFN4O/c1-26-19-16(11-23-26)15(20(27)24-13-6-4-5-12(21)9-13)10-18(25-19)14-7-2-3-8-17(14)22/h2-11H,1H3,(H,24,27)
InChIKeyXRIZPDJGEBBVKE-UHFFFAOYSA-N
XLogP4.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134802869) is N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)Nc3cccc(Cl)c3)cc(-c3ccccc3F)nc21.
What is the InChIKey of N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XRIZPDJGEBBVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c1-26-19-16(11-23-26)15(20(27)24-13-6-4-5-12(21)9-13)10-18(25-19)14-7-2-3-8-17(14)22/h2-11H,1H3,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 380.81 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).