4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile

C22H19N3O — CID 11695822

IUPAC4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(C#N)cc3)c3c(n2)N(C)CC3)cc1
InChIInChI=1S/C22H19N3O/c1-25-12-11-19-20(16-5-3-15(14-23)4-6-16)13-21(24-22(19)25)17-7-9-18(26-2)10-8-17/h3-10,13H,11-12H2,1-2H3
InChIKeyVHOSJZVWUFUANW-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.29
Rot. Bonds3

About 4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile

4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile (PubChem CID 11695822) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile
PubChem CID11695822
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(C#N)cc3)c3c(n2)N(C)CC3)cc1
InChIInChI=1S/C22H19N3O/c1-25-12-11-19-20(16-5-3-15(14-23)4-6-16)13-21(24-22(19)25)17-7-9-18(26-2)10-8-17/h3-10,13H,11-12H2,1-2H3
InChIKeyVHOSJZVWUFUANW-UHFFFAOYSA-N
XLogP4.29
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile?
The IUPAC name of 4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile (CID 11695822) is 4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile?
The canonical SMILES for 4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile is COc1ccc(-c2cc(-c3ccc(C#N)cc3)c3c(n2)N(C)CC3)cc1.
What is the InChIKey of 4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile?
The InChIKey is VHOSJZVWUFUANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-25-12-11-19-20(16-5-3-15(14-23)4-6-16)13-21(24-22(19)25)17-7-9-18(26-2)10-8-17/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile?
4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile has a molecular weight of 341.41 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 11695822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).