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

C16H15FN4O — CID 46226396

IUPAC5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cc(F)cc(C(N)=O)c3n2)cc1
InChIInChI=1S/C16H15FN4O/c1-19-8-10-2-4-13(5-3-10)21-9-11-6-12(17)7-14(16(18)22)15(11)20-21/h2-7,9,19H,8H2,1H3,(H2,18,22)
InChIKeyJASANHHOUGCVEF-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.98
Rot. Bonds4

About 5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide

5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide (PubChem CID 46226396) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
PubChem CID46226396
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cc(F)cc(C(N)=O)c3n2)cc1
InChIInChI=1S/C16H15FN4O/c1-19-8-10-2-4-13(5-3-10)21-9-11-6-12(17)7-14(16(18)22)15(11)20-21/h2-7,9,19H,8H2,1H3,(H2,18,22)
InChIKeyJASANHHOUGCVEF-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 5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide (CID 46226396) is 5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide is CNCc1ccc(-n2cc3cc(F)cc(C(N)=O)c3n2)cc1.
What is the InChIKey of 5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The InChIKey is JASANHHOUGCVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-19-8-10-2-4-13(5-3-10)21-9-11-6-12(17)7-14(16(18)22)15(11)20-21/h2-7,9,19H,8H2,1H3,(H2,18,22).
What are the key properties of 5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
5-fluoro-2-[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 5-fluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).