1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one

C26H27ClN4O4 — CID 129135174

IUPAC1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
SMILESCOCCOc1ccc(Cl)cc1Cn1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cc1=O
InChIInChI=1S/C26H27ClN4O4/c1-33-10-11-35-24-3-2-20(27)12-19(24)17-31-5-4-18(13-25(31)32)23-16-29-26-22(23)14-21(15-28-26)30-6-8-34-9-7-30/h2-5,12-16H,6-11,17H2,1H3,(H,28,29)
InChIKeyFBDUUKPGPNGAFU-UHFFFAOYSA-N
MW494.98 g/mol
LogP3.96
Rot. Bonds8

About 1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one

1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one (PubChem CID 129135174) has the molecular formula C26H27ClN4O4 and a molecular weight of 494.98 g/mol. Its IUPAC name is 1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
PubChem CID129135174
Molecular FormulaC26H27ClN4O4
Molecular Weight494.98 g/mol
Exact Mass494.17
IUPAC Name1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
SMILESCOCCOc1ccc(Cl)cc1Cn1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cc1=O
InChIInChI=1S/C26H27ClN4O4/c1-33-10-11-35-24-3-2-20(27)12-19(24)17-31-5-4-18(13-25(31)32)23-16-29-26-22(23)14-21(15-28-26)30-6-8-34-9-7-30/h2-5,12-16H,6-11,17H2,1H3,(H,28,29)
InChIKeyFBDUUKPGPNGAFU-UHFFFAOYSA-N
XLogP3.96
TPSA81.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.98
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

CID 46234149
CID 46234149
CID 49821598
CID 49821598
CID 66834065
CID 66834065
CID 156015131
CID 156015131
CID 156016018
CID 156016018
CID 45165633
CID 45165633
CID 49856322
CID 49856322
CID 162658024
CID 162658024
CID 10473554
CID 10473554
CID 89914487
CID 89914487
CID 135332575
CID 135332575
CID 135332675
CID 135332675

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The IUPAC name of 1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one (CID 129135174) is 1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one.
What is the SMILES notation for 1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The canonical SMILES for 1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one is COCCOc1ccc(Cl)cc1Cn1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cc1=O.
What is the InChIKey of 1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The InChIKey is FBDUUKPGPNGAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O4/c1-33-10-11-35-24-3-2-20(27)12-19(24)17-31-5-4-18(13-25(31)32)23-16-29-26-22(23)14-21(15-28-26)30-6-8-34-9-7-30/h2-5,12-16H,6-11,17H2,1H3,(H,28,29).
What are the key properties of 1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one has a molecular weight of 494.98 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one is sourced from PubChem (CID 129135174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).