1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide

C22H18FN3O2 — CID 143887635

IUPAC1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C22H18FN3O2/c1-14-5-6-15(21(27)11-14)12-24-22(28)18-3-2-4-20-19(18)13-25-26(20)17-9-7-16(23)8-10-17/h2-11,13,27H,12H2,1H3,(H,24,28)
InChIKeyQHJRPDIFGJBJOK-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.11
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide

1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide (PubChem CID 143887635) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide
PubChem CID143887635
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C22H18FN3O2/c1-14-5-6-15(21(27)11-14)12-24-22(28)18-3-2-4-20-19(18)13-25-26(20)17-9-7-16(23)8-10-17/h2-11,13,27H,12H2,1H3,(H,24,28)
InChIKeyQHJRPDIFGJBJOK-UHFFFAOYSA-N
XLogP4.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]indazole-4-carboxamide
CID 143887681
1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138813
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-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278142
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138157
1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde
CID 143887583
1-(4-fluorophenyl)-6-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138794
N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36747874
1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 66917098
4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid
CID 59278111
N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32637806

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide (CID 143887635) is 1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide is Cc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c(O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide?
The InChIKey is QHJRPDIFGJBJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-14-5-6-15(21(27)11-14)12-24-22(28)18-3-2-4-20-19(18)13-25-26(20)17-9-7-16(23)8-10-17/h2-11,13,27H,12H2,1H3,(H,24,28).
What are the key properties of 1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide?
1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide is sourced from PubChem (CID 143887635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).