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

C26H30N4O4 — CID 135332619

IUPAC1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol
SMILESCOCCOc1cccc(CN2C=CC(c3c[nH]c4ncc(N5CCOCC5)cc34)=CC2O)c1
InChIInChI=1S/C26H30N4O4/c1-32-11-12-34-22-4-2-3-19(13-22)18-30-6-5-20(14-25(30)31)24-17-28-26-23(24)15-21(16-27-26)29-7-9-33-10-8-29/h2-6,13-17,25,31H,7-12,18H2,1H3,(H,27,28)
InChIKeyPGKVAHBLEFPJCL-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.16
Rot. Bonds8

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

1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol (PubChem CID 135332619) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol.

Molecular Properties

Compound Name1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol
PubChem CID135332619
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol
SMILESCOCCOc1cccc(CN2C=CC(c3c[nH]c4ncc(N5CCOCC5)cc34)=CC2O)c1
InChIInChI=1S/C26H30N4O4/c1-32-11-12-34-22-4-2-3-19(13-22)18-30-6-5-20(14-25(30)31)24-17-28-26-23(24)15-21(16-27-26)29-7-9-33-10-8-29/h2-6,13-17,25,31H,7-12,18H2,1H3,(H,27,28)
InChIKeyPGKVAHBLEFPJCL-UHFFFAOYSA-N
XLogP3.16
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one
CID 170023172
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide
CID 146610079
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide
CID 146610083
4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570466
N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570418
N-[2-(2-methylphenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570423
4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
CID 59811985
1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 135332467
[3-[3-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59699915
tert-butyl 4-[4-[3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazine-1-carboxylate
CID 118523941
[5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 146570463
3-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 72943766

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol?
The IUPAC name of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol (CID 135332619) is 1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol.
What is the SMILES notation for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol?
The canonical SMILES for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol is COCCOc1cccc(CN2C=CC(c3c[nH]c4ncc(N5CCOCC5)cc34)=CC2O)c1.
What is the InChIKey of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol?
The InChIKey is PGKVAHBLEFPJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-32-11-12-34-22-4-2-3-19(13-22)18-30-6-5-20(14-25(30)31)24-17-28-26-23(24)15-21(16-27-26)29-7-9-33-10-8-29/h2-6,13-17,25,31H,7-12,18H2,1H3,(H,27,28).
What are the key properties of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol?
1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol has a molecular weight of 462.55 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol is sourced from PubChem (CID 135332619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).