4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

C29H27N5 — CID 142474941

IUPAC4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCn1ccc2cc(-c3ncc4c(ccn4CC4CCNCC4)c3-c3ccc(C#N)cc3)ccc21
InChIInChI=1S/C29H27N5/c1-33-14-10-23-16-24(6-7-26(23)33)29-28(22-4-2-20(17-30)3-5-22)25-11-15-34(27(25)18-32-29)19-21-8-12-31-13-9-21/h2-7,10-11,14-16,18,21,31H,8-9,12-13,19H2,1H3
InChIKeyCOSREXOFZZWDAN-UHFFFAOYSA-N
MW445.57 g/mol
LogP5.73
Rot. Bonds4

About 4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (PubChem CID 142474941) has the molecular formula C29H27N5 and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
PubChem CID142474941
Molecular FormulaC29H27N5
Molecular Weight445.57 g/mol
Exact Mass445.23
IUPAC Name4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCn1ccc2cc(-c3ncc4c(ccn4CC4CCNCC4)c3-c3ccc(C#N)cc3)ccc21
InChIInChI=1S/C29H27N5/c1-33-14-10-23-16-24(6-7-26(23)33)29-28(22-4-2-20(17-30)3-5-22)25-11-15-34(27(25)18-32-29)19-21-8-12-31-13-9-21/h2-7,10-11,14-16,18,21,31H,8-9,12-13,19H2,1H3
InChIKeyCOSREXOFZZWDAN-UHFFFAOYSA-N
XLogP5.73
TPSA58.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The IUPAC name of 4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (CID 142474941) is 4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The canonical SMILES for 4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is Cn1ccc2cc(-c3ncc4c(ccn4CC4CCNCC4)c3-c3ccc(C#N)cc3)ccc21.
What is the InChIKey of 4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The InChIKey is COSREXOFZZWDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5/c1-33-14-10-23-16-24(6-7-26(23)33)29-28(22-4-2-20(17-30)3-5-22)25-11-15-34(27(25)18-32-29)19-21-8-12-31-13-9-21/h2-7,10-11,14-16,18,21,31H,8-9,12-13,19H2,1H3.
What are the key properties of 4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile has a molecular weight of 445.57 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylindol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 142474941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).