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

C23H22N2O4 — CID 72792686

IUPAC3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccc(OC)c(OC)c4)c3c2)cc1OC
InChIInChI=1S/C23H22N2O4/c1-26-19-7-5-14(10-21(19)28-3)16-9-17-18(13-25-23(17)24-12-16)15-6-8-20(27-2)22(11-15)29-4/h5-13H,1-4H3,(H,24,25)
InChIKeyBAQPWVGCKOCBIN-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.93
Rot. Bonds6

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

3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 72792686) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID72792686
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccc(OC)c(OC)c4)c3c2)cc1OC
InChIInChI=1S/C23H22N2O4/c1-26-19-7-5-14(10-21(19)28-3)16-9-17-18(13-25-23(17)24-12-16)15-6-8-20(27-2)22(11-15)29-4/h5-13H,1-4H3,(H,24,25)
InChIKeyBAQPWVGCKOCBIN-UHFFFAOYSA-N
XLogP4.93
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 72792686) is 3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2cnc3[nH]cc(-c4ccc(OC)c(OC)c4)c3c2)cc1OC.
What is the InChIKey of 3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BAQPWVGCKOCBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-26-19-7-5-14(10-21(19)28-3)16-9-17-18(13-25-23(17)24-12-16)15-6-8-20(27-2)22(11-15)29-4/h5-13H,1-4H3,(H,24,25).
What are the key properties of 3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 390.44 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 72792686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).