3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid

C24H22FN5O5S — CID 140548590

IUPAC3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(S(=O)(=O)CCC(=O)O)n1
InChIInChI=1S/C24H22FN5O5S/c1-2-19(20-4-3-5-22(28-20)36(34,35)11-10-23(31)32)29-24(33)18-12-26-14-21-17(18)13-27-30(21)16-8-6-15(25)7-9-16/h3-9,12-14,19H,2,10-11H2,1H3,(H,29,33)(H,31,32)/t19-/m0/s1
InChIKeyDUHPFVZSRPJRSY-IBGZPJMESA-N
MW511.54 g/mol
LogP3.08
Rot. Bonds9

About 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid

3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid (PubChem CID 140548590) has the molecular formula C24H22FN5O5S and a molecular weight of 511.54 g/mol. Its IUPAC name is 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid.

Molecular Properties

Compound Name3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid
PubChem CID140548590
Molecular FormulaC24H22FN5O5S
Molecular Weight511.54 g/mol
Exact Mass511.13
IUPAC Name3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(S(=O)(=O)CCC(=O)O)n1
InChIInChI=1S/C24H22FN5O5S/c1-2-19(20-4-3-5-22(28-20)36(34,35)11-10-23(31)32)29-24(33)18-12-26-14-21-17(18)13-27-30(21)16-8-6-15(25)7-9-16/h3-9,12-14,19H,2,10-11H2,1H3,(H,29,33)(H,31,32)/t19-/m0/s1
InChIKeyDUHPFVZSRPJRSY-IBGZPJMESA-N
XLogP3.08
TPSA144.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.54
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic 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

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-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278115
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

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid?
The IUPAC name of 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid (CID 140548590) is 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid.
What is the SMILES notation for 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid?
The canonical SMILES for 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(S(=O)(=O)CCC(=O)O)n1.
What is the InChIKey of 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid?
The InChIKey is DUHPFVZSRPJRSY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H22FN5O5S/c1-2-19(20-4-3-5-22(28-20)36(34,35)11-10-23(31)32)29-24(33)18-12-26-14-21-17(18)13-27-30(21)16-8-6-15(25)7-9-16/h3-9,12-14,19H,2,10-11H2,1H3,(H,29,33)(H,31,32)/t19-/m0/s1.
What are the key properties of 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid?
3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid has a molecular weight of 511.54 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoic acid is sourced from PubChem (CID 140548590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).