7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine

C15H13FN4O — CID 68927326

IUPAC7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine
SMILESCOc1cccc(C=Cc2[nH]nc3c(F)cc(N)cc23)n1
InChIInChI=1S/C15H13FN4O/c1-21-14-4-2-3-10(18-14)5-6-13-11-7-9(17)8-12(16)15(11)20-19-13/h2-8H,17H2,1H3,(H,19,20)
InChIKeyKOBBUYCNVXJLED-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.86
Rot. Bonds3

About 7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine

7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine (PubChem CID 68927326) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine.

Molecular Properties

Compound Name7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine
PubChem CID68927326
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine
SMILESCOc1cccc(C=Cc2[nH]nc3c(F)cc(N)cc23)n1
InChIInChI=1S/C15H13FN4O/c1-21-14-4-2-3-10(18-14)5-6-13-11-7-9(17)8-12(16)15(11)20-19-13/h2-8H,17H2,1H3,(H,19,20)
InChIKeyKOBBUYCNVXJLED-UHFFFAOYSA-N
XLogP2.86
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine?
The IUPAC name of 7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine (CID 68927326) is 7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine.
What is the SMILES notation for 7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine?
The canonical SMILES for 7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine is COc1cccc(C=Cc2[nH]nc3c(F)cc(N)cc23)n1.
What is the InChIKey of 7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine?
The InChIKey is KOBBUYCNVXJLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-21-14-4-2-3-10(18-14)5-6-13-11-7-9(17)8-12(16)15(11)20-19-13/h2-8H,17H2,1H3,(H,19,20).
What are the key properties of 7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine?
7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine has a molecular weight of 284.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine is sourced from PubChem (CID 68927326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).