5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile

C29H29N5O2 — CID 118537648

IUPAC5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile
SMILESN#Cc1cc(-c2ccnc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1OC1CCNCC1
InChIInChI=1S/C29H29N5O2/c30-19-22-17-21(3-6-28(22)36-24-7-10-31-11-8-24)25-9-12-32-29-26(25)18-27(33-29)20-1-4-23(5-2-20)34-13-15-35-16-14-34/h1-6,9,12,17-18,24,31H,7-8,10-11,13-16H2,(H,32,33)
InChIKeyGPGFZZQWNGWWRK-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.74
Rot. Bonds5

About 5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile

5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile (PubChem CID 118537648) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile.

Molecular Properties

Compound Name5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile
PubChem CID118537648
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile
SMILESN#Cc1cc(-c2ccnc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1OC1CCNCC1
InChIInChI=1S/C29H29N5O2/c30-19-22-17-21(3-6-28(22)36-24-7-10-31-11-8-24)25-9-12-32-29-26(25)18-27(33-29)20-1-4-23(5-2-20)34-13-15-35-16-14-34/h1-6,9,12,17-18,24,31H,7-8,10-11,13-16H2,(H,32,33)
InChIKeyGPGFZZQWNGWWRK-UHFFFAOYSA-N
XLogP4.74
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile 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 5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile?
The IUPAC name of 5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile (CID 118537648) is 5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile.
What is the SMILES notation for 5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile?
The canonical SMILES for 5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile is N#Cc1cc(-c2ccnc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1OC1CCNCC1.
What is the InChIKey of 5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile?
The InChIKey is GPGFZZQWNGWWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c30-19-22-17-21(3-6-28(22)36-24-7-10-31-11-8-24)25-9-12-32-29-26(25)18-27(33-29)20-1-4-23(5-2-20)34-13-15-35-16-14-34/h1-6,9,12,17-18,24,31H,7-8,10-11,13-16H2,(H,32,33).
What are the key properties of 5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile?
5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile has a molecular weight of 479.58 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile is sourced from PubChem (CID 118537648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).