N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C20H15BrFN5O — CID 59278185

IUPACN-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(Br)nc1
InChIInChI=1S/C20H15BrFN5O/c1-12(13-2-7-19(21)24-8-13)26-20(28)17-9-23-11-18-16(17)10-25-27(18)15-5-3-14(22)4-6-15/h2-12H,1H3,(H,26,28)
InChIKeyICJIRWJXLWUKBE-UHFFFAOYSA-N
MW440.28 g/mol
LogP4.21
Rot. Bonds4

About N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278185) has the molecular formula C20H15BrFN5O and a molecular weight of 440.28 g/mol. Its IUPAC name is N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278185
Molecular FormulaC20H15BrFN5O
Molecular Weight440.28 g/mol
Exact Mass439.04
IUPAC NameN-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(Br)nc1
InChIInChI=1S/C20H15BrFN5O/c1-12(13-2-7-19(21)24-8-13)26-20(28)17-9-23-11-18-16(17)10-25-27(18)15-5-3-14(22)4-6-15/h2-12H,1H3,(H,26,28)
InChIKeyICJIRWJXLWUKBE-UHFFFAOYSA-N
XLogP4.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278494
N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278134
N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 159075828
1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 66727496
1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 141264520
1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278360
N-[(1R)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 161022269
carbamoyl-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-6-methylsulfonyl-2-pyridinyl]-dimethylazanium
CID 66727612
N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278424
N-[(1S)-1-(2-chloro-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45136963
4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
CID 45136967
1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278393

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278185) is N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(Br)nc1.
What is the InChIKey of N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is ICJIRWJXLWUKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFN5O/c1-12(13-2-7-19(21)24-8-13)26-20(28)17-9-23-11-18-16(17)10-25-27(18)15-5-3-14(22)4-6-15/h2-12H,1H3,(H,26,28).
What are the key properties of N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 440.28 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).