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

C20H14ClFN4O — CID 134801243

IUPACN-(2-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3ccccc3Cl)cc(-c3ccccc3F)nc21
InChIInChI=1S/C20H14ClFN4O/c1-26-19-14(11-23-26)13(20(27)25-17-9-5-3-7-15(17)21)10-18(24-19)12-6-2-4-8-16(12)22/h2-11H,1H3,(H,25,27)
InChIKeySRUVLGPGMGTGPE-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.68
Rot. Bonds3

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

N-(2-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134801243) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134801243
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC NameN-(2-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3ccccc3Cl)cc(-c3ccccc3F)nc21
InChIInChI=1S/C20H14ClFN4O/c1-26-19-14(11-23-26)13(20(27)25-17-9-5-3-7-15(17)21)10-18(24-19)12-6-2-4-8-16(12)22/h2-11H,1H3,(H,25,27)
InChIKeySRUVLGPGMGTGPE-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-(2-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134801243) is N-(2-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)Nc3ccccc3Cl)cc(-c3ccccc3F)nc21.
What is the InChIKey of N-(2-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SRUVLGPGMGTGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c1-26-19-14(11-23-26)13(20(27)25-17-9-5-3-7-15(17)21)10-18(24-19)12-6-2-4-8-16(12)22/h2-11H,1H3,(H,25,27).
What are the key properties of N-(2-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-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-(2-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134801243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).