3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine

C15H16N4O — CID 67260933

IUPAC3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine
SMILESCOc1nn(Cc2cccc(C)n2)c2cccc(N)c12
InChIInChI=1S/C15H16N4O/c1-10-5-3-6-11(17-10)9-19-13-8-4-7-12(16)14(13)15(18-19)20-2/h3-8H,9,16H2,1-2H3
InChIKeyZVAMQUBACGNRGX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.38
Rot. Bonds3

About 3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine

3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine (PubChem CID 67260933) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine.

Molecular Properties

Compound Name3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine
PubChem CID67260933
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine
SMILESCOc1nn(Cc2cccc(C)n2)c2cccc(N)c12
InChIInChI=1S/C15H16N4O/c1-10-5-3-6-11(17-10)9-19-13-8-4-7-12(16)14(13)15(18-19)20-2/h3-8H,9,16H2,1-2H3
InChIKeyZVAMQUBACGNRGX-UHFFFAOYSA-N
XLogP2.38
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine?
The IUPAC name of 3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine (CID 67260933) is 3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine.
What is the SMILES notation for 3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine?
The canonical SMILES for 3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine is COc1nn(Cc2cccc(C)n2)c2cccc(N)c12.
What is the InChIKey of 3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine?
The InChIKey is ZVAMQUBACGNRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-5-3-6-11(17-10)9-19-13-8-4-7-12(16)14(13)15(18-19)20-2/h3-8H,9,16H2,1-2H3.
What are the key properties of 3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine?
3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine has a molecular weight of 268.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-amine is sourced from PubChem (CID 67260933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).