1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole

C15H15N3O — CID 139333949

IUPAC1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole
SMILESCOc1ccc(-n2ncc3cc(C)c(C)cc32)cn1
InChIInChI=1S/C15H15N3O/c1-10-6-12-8-17-18(14(12)7-11(10)2)13-4-5-15(19-3)16-9-13/h4-9H,1-3H3
InChIKeyBRIULLUPJDZGNT-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.05
Rot. Bonds2

About 1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole

1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole (PubChem CID 139333949) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole
PubChem CID139333949
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole
SMILESCOc1ccc(-n2ncc3cc(C)c(C)cc32)cn1
InChIInChI=1S/C15H15N3O/c1-10-6-12-8-17-18(14(12)7-11(10)2)13-4-5-15(19-3)16-9-13/h4-9H,1-3H3
InChIKeyBRIULLUPJDZGNT-UHFFFAOYSA-N
XLogP3.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole (CID 139333949) is 1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole is COc1ccc(-n2ncc3cc(C)c(C)cc32)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole?
The InChIKey is BRIULLUPJDZGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-6-12-8-17-18(14(12)7-11(10)2)13-4-5-15(19-3)16-9-13/h4-9H,1-3H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole?
1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole has a molecular weight of 253.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-5,6-dimethylindazole is sourced from PubChem (CID 139333949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).