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

C19H16F3N5O3 — CID 137045508

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2ccc3c(O)n(-c4cn(CC(F)(F)F)cn4)cc3n2)cnc1OC
InChIInChI=1S/C19H16F3N5O3/c1-29-15-5-11(6-23-17(15)30-2)13-4-3-12-14(25-13)7-27(18(12)28)16-8-26(10-24-16)9-19(20,21)22/h3-8,10,28H,9H2,1-2H3
InChIKeyBVNAQCUDVUVSHT-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.57
Rot. Bonds5

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

2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137045508) has the molecular formula C19H16F3N5O3 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137045508
Molecular FormulaC19H16F3N5O3
Molecular Weight419.36 g/mol
Exact Mass419.12
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2ccc3c(O)n(-c4cn(CC(F)(F)F)cn4)cc3n2)cnc1OC
InChIInChI=1S/C19H16F3N5O3/c1-29-15-5-11(6-23-17(15)30-2)13-4-3-12-14(25-13)7-27(18(12)28)16-8-26(10-24-16)9-19(20,21)22/h3-8,10,28H,9H2,1-2H3
InChIKeyBVNAQCUDVUVSHT-UHFFFAOYSA-N
XLogP3.57
TPSA87.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5,6-dimethoxy-3-pyridinyl)-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-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (CID 137045508) is 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is COc1cc(-c2ccc3c(O)n(-c4cn(CC(F)(F)F)cn4)cc3n2)cnc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is BVNAQCUDVUVSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3/c1-29-15-5-11(6-23-17(15)30-2)13-4-3-12-14(25-13)7-27(18(12)28)16-8-26(10-24-16)9-19(20,21)22/h3-8,10,28H,9H2,1-2H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 419.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137045508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).