5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide

C20H13F2N3O — CID 118382349

IUPAC5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C20H13F2N3O/c21-16-8-4-7-14(18(16)22)12-9-10-17-15(11-12)19(25-24-17)20(26)23-13-5-2-1-3-6-13/h1-11H,(H,23,26)(H,24,25)
InChIKeyYIUBBXKKEADDLG-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.76
Rot. Bonds3

About 5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide

5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide (PubChem CID 118382349) has the molecular formula C20H13F2N3O and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide
PubChem CID118382349
Molecular FormulaC20H13F2N3O
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C20H13F2N3O/c21-16-8-4-7-14(18(16)22)12-9-10-17-15(11-12)19(25-24-17)20(26)23-13-5-2-1-3-6-13/h1-11H,(H,23,26)(H,24,25)
InChIKeyYIUBBXKKEADDLG-UHFFFAOYSA-N
XLogP4.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-difluorophenyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 118382000
5-(3-fluoro-2-methylphenyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123828184
5-(2,3-difluorophenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118382138
N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide
CID 118382069
5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382251
5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381811
5-(2-fluoro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 156501595
1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]-2-(6-phenyl-3-pyridinyl)propan-1-one
CID 123472402
5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 144928915
5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide
CID 123518046
N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide
CID 69074888
5,6-dimethoxy-N-phenyl-1H-indazole-3-carboxamide
CID 154174808

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide (CID 118382349) is 5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide is O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12.
What is the InChIKey of 5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide?
The InChIKey is YIUBBXKKEADDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O/c21-16-8-4-7-14(18(16)22)12-9-10-17-15(11-12)19(25-24-17)20(26)23-13-5-2-1-3-6-13/h1-11H,(H,23,26)(H,24,25).
What are the key properties of 5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide?
5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).