5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

C21H19N3O3 — CID 90029981

IUPAC5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cn1
InChIInChI=1S/C21H19N3O3/c1-25-18-6-4-13(9-19(18)26-2)15-8-16-17(12-24-21(16)23-11-15)14-5-7-20(27-3)22-10-14/h4-12H,1-3H3,(H,23,24)
InChIKeyTXDXCTZJPPTZGC-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.32
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90029981) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90029981
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cn1
InChIInChI=1S/C21H19N3O3/c1-25-18-6-4-13(9-19(18)26-2)15-8-16-17(12-24-21(16)23-11-15)14-5-7-20(27-3)22-10-14/h4-12H,1-3H3,(H,23,24)
InChIKeyTXDXCTZJPPTZGC-UHFFFAOYSA-N
XLogP4.32
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 90029981) is 5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cn1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is TXDXCTZJPPTZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-25-18-6-4-13(9-19(18)26-2)15-8-16-17(12-24-21(16)23-11-15)14-5-7-20(27-3)22-10-14/h4-12H,1-3H3,(H,23,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 361.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90029981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).