1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone

C21H15F3N4O — CID 118663684

IUPAC1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(C(F)(F)F)c3cnn(-c4cccc(C)n4)c3c2)n1
InChIInChI=1S/C21H15F3N4O/c1-12-5-3-8-20(26-12)28-19-10-14(18-7-4-6-17(27-18)13(2)29)9-16(21(22,23)24)15(19)11-25-28/h3-11H,1-2H3
InChIKeyUDLMCQFYBDJMNT-UHFFFAOYSA-N
MW396.37 g/mol
LogP5.01
Rot. Bonds3

About 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone

1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone (PubChem CID 118663684) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone
PubChem CID118663684
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(C(F)(F)F)c3cnn(-c4cccc(C)n4)c3c2)n1
InChIInChI=1S/C21H15F3N4O/c1-12-5-3-8-20(26-12)28-19-10-14(18-7-4-6-17(27-18)13(2)29)9-16(21(22,23)24)15(19)11-25-28/h3-11H,1-2H3
InChIKeyUDLMCQFYBDJMNT-UHFFFAOYSA-N
XLogP5.01
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)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-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone (CID 118663684) is 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2cc(C(F)(F)F)c3cnn(-c4cccc(C)n4)c3c2)n1.
What is the InChIKey of 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone?
The InChIKey is UDLMCQFYBDJMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c1-12-5-3-8-20(26-12)28-19-10-14(18-7-4-6-17(27-18)13(2)29)9-16(21(22,23)24)15(19)11-25-28/h3-11H,1-2H3.
What are the key properties of 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone?
1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone has a molecular weight of 396.37 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 118663684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).