5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C24H23FN2O3 — CID 90029253

IUPAC5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccc(OC(C)C)c(F)c4)c3c2)cc1OC
InChIInChI=1S/C24H23FN2O3/c1-14(2)30-21-7-6-16(10-20(21)25)19-13-27-24-18(19)9-17(12-26-24)15-5-8-22(28-3)23(11-15)29-4/h5-14H,1-4H3,(H,26,27)
InChIKeyAHDYGWCJLNEZSN-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.84
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine

5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90029253) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90029253
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccc(OC(C)C)c(F)c4)c3c2)cc1OC
InChIInChI=1S/C24H23FN2O3/c1-14(2)30-21-7-6-16(10-20(21)25)19-13-27-24-18(19)9-17(12-26-24)15-5-8-22(28-3)23(11-15)29-4/h5-14H,1-4H3,(H,26,27)
InChIKeyAHDYGWCJLNEZSN-UHFFFAOYSA-N
XLogP5.84
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzene-1,2-diol
CID 72792831
3-(3-methoxybenzyl)-1H-pyrrolo(2,3-b)pyridine
CID 24180722
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
AAK1-IN-21b
CID 138393295
7-(4-Aminocyclohexyl)-5-(1,3-benzodioxol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 168282313
2-(4-Fluoro-phenyl)-4-(3-methoxy-benzyloxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-ylamine
CID 10789231
4-butoxy-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 10833355
5-(3,4-Dimethoxyphenyl)-3-(4-pyridinyl)-1h-pyrrolo[2,3-b]pyridine
CID 11953179
7-Cyclopentyl-5-[4-(2-methoxy-phenoxy)-phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 19597382
4-butoxy-2-(4-fluorophenyl)-6-methoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 44341384
3-(1-(4-phenoxybenzyl)piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44413413
5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
CID 46234188

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 90029253) is 5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2cnc3[nH]cc(-c4ccc(OC(C)C)c(F)c4)c3c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AHDYGWCJLNEZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-14(2)30-21-7-6-16(10-20(21)25)19-13-27-24-18(19)9-17(12-26-24)15-5-8-22(28-3)23(11-15)29-4/h5-14H,1-4H3,(H,26,27).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 406.46 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90029253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).