2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide

C16H15FN4O — CID 46226377

IUPAC2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1F
InChIInChI=1S/C16H15FN4O/c1-19-8-10-5-6-12(7-14(10)17)21-9-11-3-2-4-13(16(18)22)15(11)20-21/h2-7,9,19H,8H2,1H3,(H2,18,22)
InChIKeyJOSXDXHJMALKKC-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.98
Rot. Bonds4

About 2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide

2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide (PubChem CID 46226377) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide
PubChem CID46226377
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1F
InChIInChI=1S/C16H15FN4O/c1-19-8-10-5-6-12(7-14(10)17)21-9-11-3-2-4-13(16(18)22)15(11)20-21/h2-7,9,19H,8H2,1H3,(H2,18,22)
InChIKeyJOSXDXHJMALKKC-UHFFFAOYSA-N
XLogP1.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide (CID 46226377) is 2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide is CNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The InChIKey is JOSXDXHJMALKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-19-8-10-5-6-12(7-14(10)17)21-9-11-3-2-4-13(16(18)22)15(11)20-21/h2-7,9,19H,8H2,1H3,(H2,18,22).
What are the key properties of 2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).