3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one

C13H14F3N3O — CID 79873092

IUPAC3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one
SMILESCC(C)(C)n1c(CC(=O)C(F)(F)F)nc2cnccc21
InChIInChI=1S/C13H14F3N3O/c1-12(2,3)19-9-4-5-17-7-8(9)18-11(19)6-10(20)13(14,15)16/h4-5,7H,6H2,1-3H3
InChIKeyWCZQMLNGNYGZNK-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.86
Rot. Bonds2

About 3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one

3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one (PubChem CID 79873092) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one
PubChem CID79873092
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one
SMILESCC(C)(C)n1c(CC(=O)C(F)(F)F)nc2cnccc21
InChIInChI=1S/C13H14F3N3O/c1-12(2,3)19-9-4-5-17-7-8(9)18-11(19)6-10(20)13(14,15)16/h4-5,7H,6H2,1-3H3
InChIKeyWCZQMLNGNYGZNK-UHFFFAOYSA-N
XLogP2.86
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one 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 3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one?
The IUPAC name of 3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one (CID 79873092) is 3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one?
The canonical SMILES for 3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one is CC(C)(C)n1c(CC(=O)C(F)(F)F)nc2cnccc21.
What is the InChIKey of 3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one?
The InChIKey is WCZQMLNGNYGZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-12(2,3)19-9-4-5-17-7-8(9)18-11(19)6-10(20)13(14,15)16/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one?
3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one has a molecular weight of 285.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 79873092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).