2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide

C21H19FN6O2S — CID 66727140

IUPAC2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NC)cs1
InChIInChI=1S/C21H19FN6O2S/c1-3-16(21-27-17(11-31-21)20(30)23-2)26-19(29)15-8-24-10-18-14(15)9-25-28(18)13-6-4-12(22)5-7-13/h4-11,16H,3H2,1-2H3,(H,23,30)(H,26,29)/t16-/m0/s1
InChIKeyHLFPFSFSKZOHHJ-INIZCTEOSA-N
MW438.49 g/mol
LogP3.26
Rot. Bonds6

About 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide

2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 66727140) has the molecular formula C21H19FN6O2S and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID66727140
Molecular FormulaC21H19FN6O2S
Molecular Weight438.49 g/mol
Exact Mass438.13
IUPAC Name2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NC)cs1
InChIInChI=1S/C21H19FN6O2S/c1-3-16(21-27-17(11-31-21)20(30)23-2)26-19(29)15-8-24-10-18-14(15)9-25-28(18)13-6-4-12(22)5-7-13/h4-11,16H,3H2,1-2H3,(H,23,30)(H,26,29)/t16-/m0/s1
InChIKeyHLFPFSFSKZOHHJ-INIZCTEOSA-N
XLogP3.26
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 66727140) is 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NC)cs1.
What is the InChIKey of 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is HLFPFSFSKZOHHJ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19FN6O2S/c1-3-16(21-27-17(11-31-21)20(30)23-2)26-19(29)15-8-24-10-18-14(15)9-25-28(18)13-6-4-12(22)5-7-13/h4-11,16H,3H2,1-2H3,(H,23,30)(H,26,29)/t16-/m0/s1.
What are the key properties of 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66727140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).