N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide

C28H25N5O2 — CID 118537480

IUPACN-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccnc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1NC(=O)C1CC1
InChIInChI=1S/C28H25N5O2/c29-17-21-15-20(5-8-25(21)32-28(34)19-1-2-19)23-9-10-30-27-24(23)16-26(31-27)18-3-6-22(7-4-18)33-11-13-35-14-12-33/h3-10,15-16,19H,1-2,11-14H2,(H,30,31)(H,32,34)
InChIKeyHKSFXYOGLAQDLF-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.95
Rot. Bonds5

About N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide

N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide (PubChem CID 118537480) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide
PubChem CID118537480
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC NameN-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccnc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1NC(=O)C1CC1
InChIInChI=1S/C28H25N5O2/c29-17-21-15-20(5-8-25(21)32-28(34)19-1-2-19)23-9-10-30-27-24(23)16-26(31-27)18-3-6-22(7-4-18)33-11-13-35-14-12-33/h3-10,15-16,19H,1-2,11-14H2,(H,30,31)(H,32,34)
InChIKeyHKSFXYOGLAQDLF-UHFFFAOYSA-N
XLogP4.95
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide 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 N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide (CID 118537480) is N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide is N#Cc1cc(-c2ccnc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1NC(=O)C1CC1.
What is the InChIKey of N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is HKSFXYOGLAQDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c29-17-21-15-20(5-8-25(21)32-28(34)19-1-2-19)23-9-10-30-27-24(23)16-26(31-27)18-3-6-22(7-4-18)33-11-13-35-14-12-33/h3-10,15-16,19H,1-2,11-14H2,(H,30,31)(H,32,34).
What are the key properties of N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide?
N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 463.54 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 118537480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).