1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine

C17H18N2O3 — CID 70718302

IUPAC1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-c2ccnc3c2ccn3C)cc(OC)c1OC
InChIInChI=1S/C17H18N2O3/c1-19-8-6-13-12(5-7-18-17(13)19)11-9-14(20-2)16(22-4)15(10-11)21-3/h5-10H,1-4H3
InChIKeyCMZBIAOEMYROEV-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.27
Rot. Bonds4

About 1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine

1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine (PubChem CID 70718302) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine
PubChem CID70718302
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-c2ccnc3c2ccn3C)cc(OC)c1OC
InChIInChI=1S/C17H18N2O3/c1-19-8-6-13-12(5-7-18-17(13)19)11-9-14(20-2)16(22-4)15(10-11)21-3/h5-10H,1-4H3
InChIKeyCMZBIAOEMYROEV-UHFFFAOYSA-N
XLogP3.27
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine (CID 70718302) is 1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine is COc1cc(-c2ccnc3c2ccn3C)cc(OC)c1OC.
What is the InChIKey of 1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine?
The InChIKey is CMZBIAOEMYROEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-19-8-6-13-12(5-7-18-17(13)19)11-9-14(20-2)16(22-4)15(10-11)21-3/h5-10H,1-4H3.
What are the key properties of 1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine?
1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine has a molecular weight of 298.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70718302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).