2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone

C20H19N3O4 — CID 134807265

IUPAC2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1c[nH]c2ncc(-c3ccc4c(c3)OCO4)cc12)N1CCOCC1
InChIInChI=1S/C20H19N3O4/c24-19(23-3-5-25-6-4-23)9-15-11-22-20-16(15)7-14(10-21-20)13-1-2-17-18(8-13)27-12-26-17/h1-2,7-8,10-11H,3-6,9,12H2,(H,21,22)
InChIKeyWFXOPSZEWPATJT-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.36
Rot. Bonds3

About 2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone

2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone (PubChem CID 134807265) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone
PubChem CID134807265
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1c[nH]c2ncc(-c3ccc4c(c3)OCO4)cc12)N1CCOCC1
InChIInChI=1S/C20H19N3O4/c24-19(23-3-5-25-6-4-23)9-15-11-22-20-16(15)7-14(10-21-20)13-1-2-17-18(8-13)27-12-26-17/h1-2,7-8,10-11H,3-6,9,12H2,(H,21,22)
InChIKeyWFXOPSZEWPATJT-UHFFFAOYSA-N
XLogP2.36
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone 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

[3-[3-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59700143
4-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 122602971
[5-[3-(1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxyphenyl]-morpholin-4-ylmethanone
CID 59699723
3-[3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide
CID 134811372
6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7663844
4-(1,3-benzodioxol-5-yl)pyridine-2-carboxylic acid
CID 53223206
2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone
CID 110849334
morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
CID 59699864
3-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46138200
N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 8892824
4-[5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 122603045
1-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810094

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone (CID 134807265) is 2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone is O=C(Cc1c[nH]c2ncc(-c3ccc4c(c3)OCO4)cc12)N1CCOCC1.
What is the InChIKey of 2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
The InChIKey is WFXOPSZEWPATJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-19(23-3-5-25-6-4-23)9-15-11-22-20-16(15)7-14(10-21-20)13-1-2-17-18(8-13)27-12-26-17/h1-2,7-8,10-11H,3-6,9,12H2,(H,21,22).
What are the key properties of 2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 365.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 134807265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).