N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide

C22H15FN4O — CID 58138813

IUPACN-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESC#Cc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C22H15FN4O/c1-2-17-9-6-15(12-24-17)13-25-22(28)19-4-3-5-21-20(19)14-26-27(21)18-10-7-16(23)8-11-18/h1,3-12,14H,13H2,(H,25,28)
InChIKeyGUWUWAOJMMNQTJ-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.47
Rot. Bonds4

About N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide

N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (PubChem CID 58138813) has the molecular formula C22H15FN4O and a molecular weight of 370.39 g/mol. Its IUPAC name is N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
PubChem CID58138813
Molecular FormulaC22H15FN4O
Molecular Weight370.39 g/mol
Exact Mass370.12
IUPAC NameN-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESC#Cc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C22H15FN4O/c1-2-17-9-6-15(12-24-17)13-25-22(28)19-4-3-5-21-20(19)14-26-27(21)18-10-7-16(23)8-11-18/h1,3-12,14H,13H2,(H,25,28)
InChIKeyGUWUWAOJMMNQTJ-UHFFFAOYSA-N
XLogP3.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]indazole-4-carboxamide
CID 143887681
N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane
CID 158165313
1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde
CID 143887583
1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide
CID 143887635
1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one
CID 143887698
1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 67308536
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138157
4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid
CID 59278111
1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278129
1-(4-fluorophenyl)-6-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138794
2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate
CID 59278469

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The IUPAC name of N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (CID 58138813) is N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.
What is the SMILES notation for N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The canonical SMILES for N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is C#Cc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1.
What is the InChIKey of N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The InChIKey is GUWUWAOJMMNQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O/c1-2-17-9-6-15(12-24-17)13-25-22(28)19-4-3-5-21-20(19)14-26-27(21)18-10-7-16(23)8-11-18/h1,3-12,14H,13H2,(H,25,28).
What are the key properties of N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is sourced from PubChem (CID 58138813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).