1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole

C16H17N3O — CID 141439054

IUPAC1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole
SMILESCCOc1cccc(Cn2nc(C)c3ccccc32)n1
InChIInChI=1S/C16H17N3O/c1-3-20-16-10-6-7-13(17-16)11-19-15-9-5-4-8-14(15)12(2)18-19/h4-10H,3,11H2,1-2H3
InChIKeyABXVMTJQJMBJRN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.19
Rot. Bonds4

About 1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole

1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole (PubChem CID 141439054) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole.

Molecular Properties

Compound Name1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole
PubChem CID141439054
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole
SMILESCCOc1cccc(Cn2nc(C)c3ccccc32)n1
InChIInChI=1S/C16H17N3O/c1-3-20-16-10-6-7-13(17-16)11-19-15-9-5-4-8-14(15)12(2)18-19/h4-10H,3,11H2,1-2H3
InChIKeyABXVMTJQJMBJRN-UHFFFAOYSA-N
XLogP3.19
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole
CID 141439021
ethane;3-methyl-1-propylindazole
CID 144653830
2-ethoxy-6-ethylpyridine
CID 58662042
1-[(2,6-dichlorophenyl)methyl]-3-methylindazole
CID 58796715
4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 141439042
2-ethoxy-6-propylpyridine
CID 166041245
1-[(6-ethoxy-2-pyridinyl)methyl]pyrrolidine-2,5-dione
CID 84600686
N-[1-[(6-ethoxy-2-pyridinyl)methyl]pyrazol-3-yl]thiohydroxylamine
CID 140695143
2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 63984161
ethane;2-[(3-methylindazol-1-yl)methyl]isoindole-1,3-dione
CID 91117302
2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 22509815
1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782108

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole?
The IUPAC name of 1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole (CID 141439054) is 1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole.
What is the SMILES notation for 1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole?
The canonical SMILES for 1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole is CCOc1cccc(Cn2nc(C)c3ccccc32)n1.
What is the InChIKey of 1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole?
The InChIKey is ABXVMTJQJMBJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-20-16-10-6-7-13(17-16)11-19-15-9-5-4-8-14(15)12(2)18-19/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole?
1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole has a molecular weight of 267.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole is sourced from PubChem (CID 141439054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).