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

C16H14F2N4O — CID 46226419

IUPAC5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cc(F)cc(C(N)=O)c3n2)cc1F
InChIInChI=1S/C16H14F2N4O/c1-20-7-9-2-3-12(6-14(9)18)22-8-10-4-11(17)5-13(16(19)23)15(10)21-22/h2-6,8,20H,7H2,1H3,(H2,19,23)
InChIKeyGYTKIXKPHUQSQP-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.12
Rot. Bonds4

About 5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide

5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide (PubChem CID 46226419) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide
PubChem CID46226419
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cc(F)cc(C(N)=O)c3n2)cc1F
InChIInChI=1S/C16H14F2N4O/c1-20-7-9-2-3-12(6-14(9)18)22-8-10-4-11(17)5-13(16(19)23)15(10)21-22/h2-6,8,20H,7H2,1H3,(H2,19,23)
InChIKeyGYTKIXKPHUQSQP-UHFFFAOYSA-N
XLogP2.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide (CID 46226419) is 5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide is CNCc1ccc(-n2cc3cc(F)cc(C(N)=O)c3n2)cc1F.
What is the InChIKey of 5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The InChIKey is GYTKIXKPHUQSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-20-7-9-2-3-12(6-14(9)18)22-8-10-4-11(17)5-13(16(19)23)15(10)21-22/h2-6,8,20H,7H2,1H3,(H2,19,23).
What are the key properties of 5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-fluoro-4-(methylaminomethyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).