5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid

C22H20FN5O4S — CID 59278267

IUPAC5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid
SMILESCCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(S(=O)(=O)O)c1
InChIInChI=1S/C22H20FN5O4S/c1-2-3-20(14-8-17(10-24-9-14)33(30,31)32)27-22(29)19-11-25-13-21-18(19)12-26-28(21)16-6-4-15(23)5-7-16/h4-13,20H,2-3H2,1H3,(H,27,29)(H,30,31,32)/t20-/m0/s1
InChIKeyQQZYQHYPMIVCHQ-FQEVSTJZSA-N
MW469.50 g/mol
LogP3.47
Rot. Bonds7

About 5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid

5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid (PubChem CID 59278267) has the molecular formula C22H20FN5O4S and a molecular weight of 469.50 g/mol. Its IUPAC name is 5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid.

Molecular Properties

Compound Name5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid
PubChem CID59278267
Molecular FormulaC22H20FN5O4S
Molecular Weight469.50 g/mol
Exact Mass469.12
IUPAC Name5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid
SMILESCCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(S(=O)(=O)O)c1
InChIInChI=1S/C22H20FN5O4S/c1-2-3-20(14-8-17(10-24-9-14)33(30,31)32)27-22(29)19-11-25-13-21-18(19)12-26-28(21)16-6-4-15(23)5-7-16/h4-13,20H,2-3H2,1H3,(H,27,29)(H,30,31,32)/t20-/m0/s1
InChIKeyQQZYQHYPMIVCHQ-FQEVSTJZSA-N
XLogP3.47
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278424
3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-3-pyridinyl]sulfonyl]propanoic acid
CID 59278301
1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45102641
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-[(1S)-1-(4-methylsulfonyl-2-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278500
(1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine
CID 118680423
1-(4-fluorophenyl)-N-[(1S)-1-(3-methoxy-4-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278162
N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278299
N-[(1S)-1-(2-chloro-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45136963
1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278393
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
ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 143965573

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid?
The IUPAC name of 5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid (CID 59278267) is 5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid.
What is the SMILES notation for 5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid?
The canonical SMILES for 5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid is CCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(S(=O)(=O)O)c1.
What is the InChIKey of 5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid?
The InChIKey is QQZYQHYPMIVCHQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20FN5O4S/c1-2-3-20(14-8-17(10-24-9-14)33(30,31)32)27-22(29)19-11-25-13-21-18(19)12-26-28(21)16-6-4-15(23)5-7-16/h4-13,20H,2-3H2,1H3,(H,27,29)(H,30,31,32)/t20-/m0/s1.
What are the key properties of 5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid?
5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid has a molecular weight of 469.50 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid is sourced from PubChem (CID 59278267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).