3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol

C43H39F6N11O2 — CID 177136467

IUPAC3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc2cn(C3CCc4nnc(C)n4C3)nc2n1.Cc1cn2c(n1)CCC(n1cc3ccc(-c4c(C)cc(C(F)(F)F)cc4O)nc3n1)C2
InChIInChI=1S/C22H20F3N5O.C21H19F3N6O/c1-12-7-15(22(23,24)25)8-18(31)20(12)17-5-3-14-10-30(28-21(14)27-17)16-4-6-19-26-13(2)9-29(19)11-16;1-11-7-14(21(22,23)24)8-17(31)19(11)16-5-3-13-9-30(28-20(13)25-16)15-4-6-18-27-26-12(2)29(18)10-15/h3,5,7-10,16,31H,4,6,11H2,1-2H3;3,5,7-9,15,31H,4,6,10H2,1-2H3
InChIKeyGVDMPZDGXYLIJM-UHFFFAOYSA-N
MW855.85 g/mol
LogP9.04
Rot. Bonds4

About 3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol

3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol (PubChem CID 177136467) has the molecular formula C43H39F6N11O2 and a molecular weight of 855.85 g/mol. Its IUPAC name is 3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol
PubChem CID177136467
Molecular FormulaC43H39F6N11O2
Molecular Weight855.85 g/mol
Exact Mass855.32
IUPAC Name3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc2cn(C3CCc4nnc(C)n4C3)nc2n1.Cc1cn2c(n1)CCC(n1cc3ccc(-c4c(C)cc(C(F)(F)F)cc4O)nc3n1)C2
InChIInChI=1S/C22H20F3N5O.C21H19F3N6O/c1-12-7-15(22(23,24)25)8-18(31)20(12)17-5-3-14-10-30(28-21(14)27-17)16-4-6-19-26-13(2)9-29(19)11-16;1-11-7-14(21(22,23)24)8-17(31)19(11)16-5-3-13-9-30(28-20(13)25-16)15-4-6-18-27-26-12(2)29(18)10-15/h3,5,7-10,16,31H,4,6,11H2,1-2H3;3,5,7-9,15,31H,4,6,10H2,1-2H3
InChIKeyGVDMPZDGXYLIJM-UHFFFAOYSA-N
XLogP9.04
TPSA150.41 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500855.85
LogP ≤ 59.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol 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-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol (CID 177136467) is 3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol is Cc1cc(C(F)(F)F)cc(O)c1-c1ccc2cn(C3CCc4nnc(C)n4C3)nc2n1.Cc1cn2c(n1)CCC(n1cc3ccc(-c4c(C)cc(C(F)(F)F)cc4O)nc3n1)C2.
What is the InChIKey of 3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol?
The InChIKey is GVDMPZDGXYLIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O.C21H19F3N6O/c1-12-7-15(22(23,24)25)8-18(31)20(12)17-5-3-14-10-30(28-21(14)27-17)16-4-6-19-26-13(2)9-29(19)11-16;1-11-7-14(21(22,23)24)8-17(31)19(11)16-5-3-13-9-30(28-20(13)25-16)15-4-6-18-27-26-12(2)29(18)10-15/h3,5,7-10,16,31H,4,6,11H2,1-2H3;3,5,7-9,15,31H,4,6,10H2,1-2H3.
What are the key properties of 3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol?
3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol has a molecular weight of 855.85 g/mol, XLogP of 9.04, 4 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol;3-methyl-2-[2-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 177136467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).