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

C23H23N3O2 — CID 118709500

IUPAC3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cccc(N(C)C)c4)cc23)cc1OC
InChIInChI=1S/C23H23N3O2/c1-26(2)18-7-5-6-15(10-18)17-11-19-20(14-25-23(19)24-13-17)16-8-9-21(27-3)22(12-16)28-4/h5-14H,1-4H3,(H,24,25)
InChIKeyJHZDDBCPAXESNK-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.98
Rot. Bonds5

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

3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (PubChem CID 118709500) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
PubChem CID118709500
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cccc(N(C)C)c4)cc23)cc1OC
InChIInChI=1S/C23H23N3O2/c1-26(2)18-7-5-6-15(10-18)17-11-19-20(14-25-23(19)24-13-17)16-8-9-21(27-3)22(12-16)28-4/h5-14H,1-4H3,(H,24,25)
InChIKeyJHZDDBCPAXESNK-UHFFFAOYSA-N
XLogP4.98
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (CID 118709500) is 3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is COc1ccc(-c2c[nH]c3ncc(-c4cccc(N(C)C)c4)cc23)cc1OC.
What is the InChIKey of 3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The InChIKey is JHZDDBCPAXESNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-26(2)18-7-5-6-15(10-18)17-11-19-20(14-25-23(19)24-13-17)16-8-9-21(27-3)22(12-16)28-4/h5-14H,1-4H3,(H,24,25).
What are the key properties of 3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline has a molecular weight of 373.46 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 118709500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).