4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid

C19H14FN5O3S — CID 59278111

IUPAC4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid
SMILESO=C(NCc1ccnc(S(=O)O)c1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C19H14FN5O3S/c20-13-1-3-14(4-2-13)25-17-11-21-9-16(15(17)10-24-25)19(26)23-8-12-5-6-22-18(7-12)29(27)28/h1-7,9-11H,8H2,(H,23,26)(H,27,28)
InChIKeySBHJVQTTXIXMOT-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.47
Rot. Bonds5

About 4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid

4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid (PubChem CID 59278111) has the molecular formula C19H14FN5O3S and a molecular weight of 411.42 g/mol. Its IUPAC name is 4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid.

Molecular Properties

Compound Name4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid
PubChem CID59278111
Molecular FormulaC19H14FN5O3S
Molecular Weight411.42 g/mol
Exact Mass411.08
IUPAC Name4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid
SMILESO=C(NCc1ccnc(S(=O)O)c1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C19H14FN5O3S/c20-13-1-3-14(4-2-13)25-17-11-21-9-16(15(17)10-24-25)19(26)23-8-12-5-6-22-18(7-12)29(27)28/h1-7,9-11H,8H2,(H,23,26)(H,27,28)
InChIKeySBHJVQTTXIXMOT-UHFFFAOYSA-N
XLogP2.47
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138157
2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate
CID 150312296
1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 67308536
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 58084215
1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278258
N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 123317370
N-[[4-(cyclohexylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138160
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-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 58222746
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-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278129
N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278271

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid?
The IUPAC name of 4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid (CID 59278111) is 4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid.
What is the SMILES notation for 4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid?
The canonical SMILES for 4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid is O=C(NCc1ccnc(S(=O)O)c1)c1cncc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid?
The InChIKey is SBHJVQTTXIXMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3S/c20-13-1-3-14(4-2-13)25-17-11-21-9-16(15(17)10-24-25)19(26)23-8-12-5-6-22-18(7-12)29(27)28/h1-7,9-11H,8H2,(H,23,26)(H,27,28).
What are the key properties of 4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid?
4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid has a molecular weight of 411.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid is sourced from PubChem (CID 59278111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).