6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine

C25H22F3N5O — CID 130278149

IUPAC6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
SMILESCc1coc(C)c1-c1cnc2c(-c3cnn(CC(F)(F)F)c3)cn(C(C)c3ccccn3)c2c1
InChIInChI=1S/C25H22F3N5O/c1-15-13-34-17(3)23(15)18-8-22-24(30-9-18)20(19-10-31-32(11-19)14-25(26,27)28)12-33(22)16(2)21-6-4-5-7-29-21/h4-13,16H,14H2,1-3H3
InChIKeyMJGPMGLLTXYLLD-UHFFFAOYSA-N
MW465.48 g/mol
LogP6.34
Rot. Bonds5

About 6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine

6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine (PubChem CID 130278149) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is 6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
PubChem CID130278149
Molecular FormulaC25H22F3N5O
Molecular Weight465.48 g/mol
Exact Mass465.18
IUPAC Name6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
SMILESCc1coc(C)c1-c1cnc2c(-c3cnn(CC(F)(F)F)c3)cn(C(C)c3ccccn3)c2c1
InChIInChI=1S/C25H22F3N5O/c1-15-13-34-17(3)23(15)18-8-22-24(30-9-18)20(19-10-31-32(11-19)14-25(26,27)28)12-33(22)16(2)21-6-4-5-7-29-21/h4-13,16H,14H2,1-3H3
InChIKeyMJGPMGLLTXYLLD-UHFFFAOYSA-N
XLogP6.34
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine 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 6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine (CID 130278149) is 6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine is Cc1coc(C)c1-c1cnc2c(-c3cnn(CC(F)(F)F)c3)cn(C(C)c3ccccn3)c2c1.
What is the InChIKey of 6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine?
The InChIKey is MJGPMGLLTXYLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O/c1-15-13-34-17(3)23(15)18-8-22-24(30-9-18)20(19-10-31-32(11-19)14-25(26,27)28)12-33(22)16(2)21-6-4-5-7-29-21/h4-13,16H,14H2,1-3H3.
What are the key properties of 6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine?
6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine has a molecular weight of 465.48 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 130278149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).