3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

C20H17N3O2 — CID 118709545

IUPAC3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cccnc4)cc23)cc1OC
InChIInChI=1S/C20H17N3O2/c1-24-18-6-5-13(9-19(18)25-2)17-12-23-20-16(17)8-15(11-22-20)14-4-3-7-21-10-14/h3-12H,1-2H3,(H,22,23)
InChIKeyKBDHLWBPIOODDP-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.31
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118709545) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID118709545
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cccnc4)cc23)cc1OC
InChIInChI=1S/C20H17N3O2/c1-24-18-6-5-13(9-19(18)25-2)17-12-23-20-16(17)8-15(11-22-20)14-4-3-7-21-10-14/h3-12H,1-2H3,(H,22,23)
InChIKeyKBDHLWBPIOODDP-UHFFFAOYSA-N
XLogP4.31
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 118709545) is 3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2c[nH]c3ncc(-c4cccnc4)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KBDHLWBPIOODDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-24-18-6-5-13(9-19(18)25-2)17-12-23-20-16(17)8-15(11-22-20)14-4-3-7-21-10-14/h3-12H,1-2H3,(H,22,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 331.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118709545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).