2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate

C24H23FN6O5S — CID 59278469

IUPAC2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate
SMILESCC(=O)OCCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C24H23FN6O5S/c1-16(32)36-10-9-30(2)37(34,35)23-8-3-17(11-27-23)12-28-24(33)21-13-26-15-22-20(21)14-29-31(22)19-6-4-18(25)5-7-19/h3-8,11,13-15H,9-10,12H2,1-2H3,(H,28,33)
InChIKeyUEZKWPBPQQSIMH-UHFFFAOYSA-N
MW526.55 g/mol
LogP2.07
Rot. Bonds9

About 2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate

2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate (PubChem CID 59278469) has the molecular formula C24H23FN6O5S and a molecular weight of 526.55 g/mol. Its IUPAC name is 2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate.

Molecular Properties

Compound Name2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate
PubChem CID59278469
Molecular FormulaC24H23FN6O5S
Molecular Weight526.55 g/mol
Exact Mass526.14
IUPAC Name2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate
SMILESCC(=O)OCCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C24H23FN6O5S/c1-16(32)36-10-9-30(2)37(34,35)23-8-3-17(11-27-23)12-28-24(33)21-13-26-15-22-20(21)14-29-31(22)19-6-4-18(25)5-7-19/h3-8,11,13-15H,9-10,12H2,1-2H3,(H,28,33)
InChIKeyUEZKWPBPQQSIMH-UHFFFAOYSA-N
XLogP2.07
TPSA136.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.55
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate with MolForge

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Related Compounds

2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate
CID 150312296
N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 123317370
1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278129
1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 157157036
1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 67308536
1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278387
1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45139039
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138157
N-[[4-(cyclohexylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138160
1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 58222746
N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278271
4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid
CID 59278111

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate?
The IUPAC name of 2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate (CID 59278469) is 2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate.
What is the SMILES notation for 2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate?
The canonical SMILES for 2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate is CC(=O)OCCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1.
What is the InChIKey of 2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate?
The InChIKey is UEZKWPBPQQSIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O5S/c1-16(32)36-10-9-30(2)37(34,35)23-8-3-17(11-27-23)12-28-24(33)21-13-26-15-22-20(21)14-29-31(22)19-6-4-18(25)5-7-19/h3-8,11,13-15H,9-10,12H2,1-2H3,(H,28,33).
What are the key properties of 2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate?
2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate has a molecular weight of 526.55 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate is sourced from PubChem (CID 59278469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).