1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C21H18FN5O3S — CID 59278115

IUPAC1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C21H18FN5O3S/c1-13(14-7-8-24-20(9-14)31(2,29)30)26-21(28)18-10-23-12-19-17(18)11-25-27(19)16-5-3-15(22)4-6-16/h3-13H,1-2H3,(H,26,28)
InChIKeyHEPQFXHMADPWQG-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.85
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278115) has the molecular formula C21H18FN5O3S and a molecular weight of 439.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278115
Molecular FormulaC21H18FN5O3S
Molecular Weight439.47 g/mol
Exact Mass439.11
IUPAC Name1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C21H18FN5O3S/c1-13(14-7-8-24-20(9-14)31(2,29)30)26-21(28)18-10-23-12-19-17(18)11-25-27(19)16-5-3-15(22)4-6-16/h3-13H,1-2H3,(H,26,28)
InChIKeyHEPQFXHMADPWQG-UHFFFAOYSA-N
XLogP2.85
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CCR1 antagonist 8
CID 52916803
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138759
1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [(S)-1-(2-methanesulfonyl-pyridin-4-yl)-propyl]-amide
CID 59278286
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278332
1-(4-Fluoro-phenyl)-1H-indazole-4-carboxylic acid (6-methanesulfonyl-pyridin-3-ylmethyl)-amide
CID 44469804
1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid (6-methanesulfonyl-pyridin-3-ylmethyl)-amide
CID 45138010
N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138458
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclobutyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 52917500
1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278123
1-(4-fluorophenyl)-N-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridine-4-carboxamide
CID 59278147
1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278235
1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278305

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278115) is 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is HEPQFXHMADPWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3S/c1-13(14-7-8-24-20(9-14)31(2,29)30)26-21(28)18-10-23-12-19-17(18)11-25-27(19)16-5-3-15(22)4-6-16/h3-13H,1-2H3,(H,26,28).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).