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

C23H20FN5O5S — CID 150312296

IUPAC2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate
SMILESCC(=O)OCCS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C23H20FN5O5S/c1-15(30)34-8-9-35(32,33)22-10-16(6-7-26-22)11-27-23(31)20-12-25-14-21-19(20)13-28-29(21)18-4-2-17(24)3-5-18/h2-7,10,12-14H,8-9,11H2,1H3,(H,27,31)
InChIKeyGLWOGVSIUBVCTO-UHFFFAOYSA-N
MW497.51 g/mol
LogP2.22
Rot. Bonds8

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

2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate (PubChem CID 150312296) has the molecular formula C23H20FN5O5S and a molecular weight of 497.51 g/mol. Its IUPAC name is 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate.

Molecular Properties

Compound Name2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate
PubChem CID150312296
Molecular FormulaC23H20FN5O5S
Molecular Weight497.51 g/mol
Exact Mass497.12
IUPAC Name2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate
SMILESCC(=O)OCCS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C23H20FN5O5S/c1-15(30)34-8-9-35(32,33)22-10-16(6-7-26-22)11-27-23(31)20-12-25-14-21-19(20)13-28-29(21)18-4-2-17(24)3-5-18/h2-7,10,12-14H,8-9,11H2,1H3,(H,27,31)
InChIKeyGLWOGVSIUBVCTO-UHFFFAOYSA-N
XLogP2.22
TPSA133.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate
CID 59278469
4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid
CID 59278111
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138157
1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 67308536
N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 123317370
1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45139039
1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278142
N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278299
N-[[4-(cyclohexylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138160
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 58084215
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-3-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 158469598
1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 157157036

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate?
The IUPAC name of 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate (CID 150312296) is 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate.
What is the SMILES notation for 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate?
The canonical SMILES for 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate is CC(=O)OCCS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.
What is the InChIKey of 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate?
The InChIKey is GLWOGVSIUBVCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O5S/c1-15(30)34-8-9-35(32,33)22-10-16(6-7-26-22)11-27-23(31)20-12-25-14-21-19(20)13-28-29(21)18-4-2-17(24)3-5-18/h2-7,10,12-14H,8-9,11H2,1H3,(H,27,31).
What are the key properties of 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate?
2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate has a molecular weight of 497.51 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate is sourced from PubChem (CID 150312296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).