7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine

C42H39F5N12 — CID 157458752

IUPAC7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine
SMILESCc1cn2cc(-c3cc(F)c4nc(C5CCNCC5)nnc4c3)cc(C(F)(F)F)c2n1.Cc1cn2cc(-c3cc(F)c4nc(C5CCNCC5)nnc4c3)cc(C)c2n1
InChIInChI=1S/C21H18F4N6.C21H21FN6/c1-11-9-31-10-14(6-15(20(31)27-11)21(23,24)25)13-7-16(22)18-17(8-13)29-30-19(28-18)12-2-4-26-5-3-12;1-12-7-16(11-28-10-13(2)24-21(12)28)15-8-17(22)19-18(9-15)26-27-20(25-19)14-3-5-23-6-4-14/h6-10,12,26H,2-5H2,1H3;7-11,14,23H,3-6H2,1-2H3
InChIKeyBTRCYNNXKNJAMG-UHFFFAOYSA-N
MW806.85 g/mol
LogP7.84
Rot. Bonds4

About 7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine

7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine (PubChem CID 157458752) has the molecular formula C42H39F5N12 and a molecular weight of 806.85 g/mol. Its IUPAC name is 7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine.

Molecular Properties

Compound Name7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine
PubChem CID157458752
Molecular FormulaC42H39F5N12
Molecular Weight806.85 g/mol
Exact Mass806.33
IUPAC Name7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine
SMILESCc1cn2cc(-c3cc(F)c4nc(C5CCNCC5)nnc4c3)cc(C(F)(F)F)c2n1.Cc1cn2cc(-c3cc(F)c4nc(C5CCNCC5)nnc4c3)cc(C)c2n1
InChIInChI=1S/C21H18F4N6.C21H21FN6/c1-11-9-31-10-14(6-15(20(31)27-11)21(23,24)25)13-7-16(22)18-17(8-13)29-30-19(28-18)12-2-4-26-5-3-12;1-12-7-16(11-28-10-13(2)24-21(12)28)15-8-17(22)19-18(9-15)26-27-20(25-19)14-3-5-23-6-4-14/h6-10,12,26H,2-5H2,1H3;7-11,14,23H,3-6H2,1-2H3
InChIKeyBTRCYNNXKNJAMG-UHFFFAOYSA-N
XLogP7.84
TPSA136.00 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500806.85
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine 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 7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine?
The IUPAC name of 7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine (CID 157458752) is 7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine.
What is the SMILES notation for 7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine?
The canonical SMILES for 7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine is Cc1cn2cc(-c3cc(F)c4nc(C5CCNCC5)nnc4c3)cc(C(F)(F)F)c2n1.Cc1cn2cc(-c3cc(F)c4nc(C5CCNCC5)nnc4c3)cc(C)c2n1.
What is the InChIKey of 7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine?
The InChIKey is BTRCYNNXKNJAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N6.C21H21FN6/c1-11-9-31-10-14(6-15(20(31)27-11)21(23,24)25)13-7-16(22)18-17(8-13)29-30-19(28-18)12-2-4-26-5-3-12;1-12-7-16(11-28-10-13(2)24-21(12)28)15-8-17(22)19-18(9-15)26-27-20(25-19)14-3-5-23-6-4-14/h6-10,12,26H,2-5H2,1H3;7-11,14,23H,3-6H2,1-2H3.
What are the key properties of 7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine?
7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine has a molecular weight of 806.85 g/mol, XLogP of 7.84, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine is sourced from PubChem (CID 157458752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).