2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol

C21H20F3N5O3 — CID 137083395

IUPAC2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCCOc1ncc(-c2cc(C)c3c(O)n(-c4cn(CC(F)(F)F)cn4)cc3n2)cc1OC
InChIInChI=1S/C21H20F3N5O3/c1-4-32-19-16(31-3)6-13(7-25-19)14-5-12(2)18-15(27-14)8-29(20(18)30)17-9-28(11-26-17)10-21(22,23)24/h5-9,11,30H,4,10H2,1-3H3
InChIKeyCWUPEBMVMFQHCP-UHFFFAOYSA-N
MW447.42 g/mol
LogP4.27
Rot. Bonds6

About 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol

2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137083395) has the molecular formula C21H20F3N5O3 and a molecular weight of 447.42 g/mol. Its IUPAC name is 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137083395
Molecular FormulaC21H20F3N5O3
Molecular Weight447.42 g/mol
Exact Mass447.15
IUPAC Name2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCCOc1ncc(-c2cc(C)c3c(O)n(-c4cn(CC(F)(F)F)cn4)cc3n2)cc1OC
InChIInChI=1S/C21H20F3N5O3/c1-4-32-19-16(31-3)6-13(7-25-19)14-5-12(2)18-15(27-14)8-29(20(18)30)17-9-28(11-26-17)10-21(22,23)24/h5-9,11,30H,4,10H2,1-3H3
InChIKeyCWUPEBMVMFQHCP-UHFFFAOYSA-N
XLogP4.27
TPSA87.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol 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-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (CID 137083395) is 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is CCOc1ncc(-c2cc(C)c3c(O)n(-c4cn(CC(F)(F)F)cn4)cc3n2)cc1OC.
What is the InChIKey of 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is CWUPEBMVMFQHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O3/c1-4-32-19-16(31-3)6-13(7-25-19)14-5-12(2)18-15(27-14)8-29(20(18)30)17-9-28(11-26-17)10-21(22,23)24/h5-9,11,30H,4,10H2,1-3H3.
What are the key properties of 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 447.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137083395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).