4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine

C23H21ClN4O — CID 90421791

IUPAC4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine
SMILESClc1ccc(-n2c(-c3ccc(CN4CCOCC4)nc3)cc3ccncc32)cc1
InChIInChI=1S/C23H21ClN4O/c24-19-2-5-21(6-3-19)28-22(13-17-7-8-25-15-23(17)28)18-1-4-20(26-14-18)16-27-9-11-29-12-10-27/h1-8,13-15H,9-12,16H2
InChIKeyLUODNKWFGRJVEH-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.57
Rot. Bonds4

About 4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine

4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine (PubChem CID 90421791) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is 4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine
PubChem CID90421791
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC Name4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine
SMILESClc1ccc(-n2c(-c3ccc(CN4CCOCC4)nc3)cc3ccncc32)cc1
InChIInChI=1S/C23H21ClN4O/c24-19-2-5-21(6-3-19)28-22(13-17-7-8-25-15-23(17)28)18-1-4-20(26-14-18)16-27-9-11-29-12-10-27/h1-8,13-15H,9-12,16H2
InChIKeyLUODNKWFGRJVEH-UHFFFAOYSA-N
XLogP4.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine 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-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine?
The IUPAC name of 4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine (CID 90421791) is 4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine?
The canonical SMILES for 4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine is Clc1ccc(-n2c(-c3ccc(CN4CCOCC4)nc3)cc3ccncc32)cc1.
What is the InChIKey of 4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine?
The InChIKey is LUODNKWFGRJVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c24-19-2-5-21(6-3-19)28-22(13-17-7-8-25-15-23(17)28)18-1-4-20(26-14-18)16-27-9-11-29-12-10-27/h1-8,13-15H,9-12,16H2.
What are the key properties of 4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine?
4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine has a molecular weight of 404.90 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine is sourced from PubChem (CID 90421791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).