4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile

C23H24N4O — CID 118078521

IUPAC4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile
SMILESCc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(C#N)cc3)c2c1
InChIInChI=1S/C23H24N4O/c1-16-12-20-23(25-14-16)22(21(28)15-26-10-4-3-5-11-26)17(2)27(20)19-8-6-18(13-24)7-9-19/h6-9,12,14H,3-5,10-11,15H2,1-2H3
InChIKeyVQFRNUSFWKKADR-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.18
Rot. Bonds4

About 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile

4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile (PubChem CID 118078521) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile
PubChem CID118078521
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile
SMILESCc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(C#N)cc3)c2c1
InChIInChI=1S/C23H24N4O/c1-16-12-20-23(25-14-16)22(21(28)15-26-10-4-3-5-11-26)17(2)27(20)19-8-6-18(13-24)7-9-19/h6-9,12,14H,3-5,10-11,15H2,1-2H3
InChIKeyVQFRNUSFWKKADR-UHFFFAOYSA-N
XLogP4.18
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile?
The IUPAC name of 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile (CID 118078521) is 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile.
What is the SMILES notation for 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile?
The canonical SMILES for 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile is Cc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(C#N)cc3)c2c1.
What is the InChIKey of 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile?
The InChIKey is VQFRNUSFWKKADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-12-20-23(25-14-16)22(21(28)15-26-10-4-3-5-11-26)17(2)27(20)19-8-6-18(13-24)7-9-19/h6-9,12,14H,3-5,10-11,15H2,1-2H3.
What are the key properties of 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile?
4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile has a molecular weight of 372.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile is sourced from PubChem (CID 118078521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).