1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone

C21H18N4O — CID 118663635

IUPAC1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
SMILESCCc1cccc(-n2ncc3ccc(-c4cccc(C(C)=O)n4)cc32)n1
InChIInChI=1S/C21H18N4O/c1-3-17-6-4-9-21(23-17)25-20-12-15(10-11-16(20)13-22-25)19-8-5-7-18(24-19)14(2)26/h4-13H,3H2,1-2H3
InChIKeyIRDIDPMNYVJSPF-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.25
Rot. Bonds4

About 1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone

1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone (PubChem CID 118663635) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
PubChem CID118663635
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
SMILESCCc1cccc(-n2ncc3ccc(-c4cccc(C(C)=O)n4)cc32)n1
InChIInChI=1S/C21H18N4O/c1-3-17-6-4-9-21(23-17)25-20-12-15(10-11-16(20)13-22-25)19-8-5-7-18(24-19)14(2)26/h4-13H,3H2,1-2H3
InChIKeyIRDIDPMNYVJSPF-UHFFFAOYSA-N
XLogP4.25
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone (CID 118663635) is 1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone is CCc1cccc(-n2ncc3ccc(-c4cccc(C(C)=O)n4)cc32)n1.
What is the InChIKey of 1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The InChIKey is IRDIDPMNYVJSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-3-17-6-4-9-21(23-17)25-20-12-15(10-11-16(20)13-22-25)19-8-5-7-18(24-19)14(2)26/h4-13H,3H2,1-2H3.
What are the key properties of 1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone has a molecular weight of 342.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 118663635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).