2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid

C15H13F6N5O4 — CID 167933069

IUPAC2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1ccc(NC2CCc3nc(C(F)(F)F)cn3C2)nn1
InChIInChI=1S/C13H12F3N5O2.C2HF3O2/c14-13(15,16)9-6-21-5-7(1-4-11(21)18-9)17-10-3-2-8(12(22)23)19-20-10;3-2(4,5)1(6)7/h2-3,6-7H,1,4-5H2,(H,17,20)(H,22,23);(H,6,7)
InChIKeyHIDTXTMWIITBJI-UHFFFAOYSA-N
MW441.29 g/mol
LogP2.45
Rot. Bonds3

About 2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid

2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid (PubChem CID 167933069) has the molecular formula C15H13F6N5O4 and a molecular weight of 441.29 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid
PubChem CID167933069
Molecular FormulaC15H13F6N5O4
Molecular Weight441.29 g/mol
Exact Mass441.09
IUPAC Name2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1ccc(NC2CCc3nc(C(F)(F)F)cn3C2)nn1
InChIInChI=1S/C13H12F3N5O2.C2HF3O2/c14-13(15,16)9-6-21-5-7(1-4-11(21)18-9)17-10-3-2-8(12(22)23)19-20-10;3-2(4,5)1(6)7/h2-3,6-7H,1,4-5H2,(H,17,20)(H,22,23);(H,6,7)
InChIKeyHIDTXTMWIITBJI-UHFFFAOYSA-N
XLogP2.45
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid 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 2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid?
The IUPAC name of 2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid (CID 167933069) is 2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid is O=C(O)C(F)(F)F.O=C(O)c1ccc(NC2CCc3nc(C(F)(F)F)cn3C2)nn1.
What is the InChIKey of 2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid?
The InChIKey is HIDTXTMWIITBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O2.C2HF3O2/c14-13(15,16)9-6-21-5-7(1-4-11(21)18-9)17-10-3-2-8(12(22)23)19-20-10;3-2(4,5)1(6)7/h2-3,6-7H,1,4-5H2,(H,17,20)(H,22,23);(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid?
2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid has a molecular weight of 441.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 167933069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).