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

C20H14ClFN4O — CID 134801914

IUPACN-(3-chlorophenyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3cccc(Cl)c3)cc(-c3cccc(F)c3)nc21
InChIInChI=1S/C20H14ClFN4O/c1-26-19-17(11-23-26)16(20(27)24-15-7-3-5-13(21)9-15)10-18(25-19)12-4-2-6-14(22)8-12/h2-11H,1H3,(H,24,27)
InChIKeyRQXWMCXXPWOFKB-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.68
Rot. Bonds3

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

N-(3-chlorophenyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134801914) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134801914
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC NameN-(3-chlorophenyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3cccc(Cl)c3)cc(-c3cccc(F)c3)nc21
InChIInChI=1S/C20H14ClFN4O/c1-26-19-17(11-23-26)16(20(27)24-15-7-3-5-13(21)9-15)10-18(25-19)12-4-2-6-14(22)8-12/h2-11H,1H3,(H,24,27)
InChIKeyRQXWMCXXPWOFKB-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-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134801914) is N-(3-chlorophenyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)Nc3cccc(Cl)c3)cc(-c3cccc(F)c3)nc21.
What is the InChIKey of N-(3-chlorophenyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RQXWMCXXPWOFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c1-26-19-17(11-23-26)16(20(27)24-15-7-3-5-13(21)9-15)10-18(25-19)12-4-2-6-14(22)8-12/h2-11H,1H3,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-chlorophenyl)-6-(3-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-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134801914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).