N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide

C16H15FN4O2 — CID 102030013

IUPACN'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide
SMILESCOc1ccc2c(/N=C(\NO)c3ccccc3)nn(C)c2c1F
InChIInChI=1S/C16H15FN4O2/c1-21-14-11(8-9-12(23-2)13(14)17)16(19-21)18-15(20-22)10-6-4-3-5-7-10/h3-9,22H,1-2H3,(H,18,19,20)
InChIKeyYEKPHBYUVOPVJV-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.78
Rot. Bonds3

About N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide

N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide (PubChem CID 102030013) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide
PubChem CID102030013
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC NameN'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide
SMILESCOc1ccc2c(/N=C(\NO)c3ccccc3)nn(C)c2c1F
InChIInChI=1S/C16H15FN4O2/c1-21-14-11(8-9-12(23-2)13(14)17)16(19-21)18-15(20-22)10-6-4-3-5-7-10/h3-9,22H,1-2H3,(H,18,19,20)
InChIKeyYEKPHBYUVOPVJV-UHFFFAOYSA-N
XLogP2.78
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide?
The IUPAC name of N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide (CID 102030013) is N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide.
What is the SMILES notation for N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide?
The canonical SMILES for N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide is COc1ccc2c(/N=C(\NO)c3ccccc3)nn(C)c2c1F.
What is the InChIKey of N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide?
The InChIKey is YEKPHBYUVOPVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-21-14-11(8-9-12(23-2)13(14)17)16(19-21)18-15(20-22)10-6-4-3-5-7-10/h3-9,22H,1-2H3,(H,18,19,20).
What are the key properties of N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide?
N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide has a molecular weight of 314.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102030013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).