2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone

C25H24N4O3 — CID 124956255

IUPAC2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone
SMILESCOc1cccc(-c2cncc([C@@H]3CN(C(=O)Cc4c[nH]c5ccccc45)CCO3)n2)c1
InChIInChI=1S/C25H24N4O3/c1-31-19-6-4-5-17(11-19)22-14-26-15-23(28-22)24-16-29(9-10-32-24)25(30)12-18-13-27-21-8-3-2-7-20(18)21/h2-8,11,13-15,24,27H,9-10,12,16H2,1H3/t24-/m0/s1
InChIKeyFQEWHGITCSLRER-DEOSSOPVSA-N
MW428.49 g/mol
LogP3.78
Rot. Bonds5

About 2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone

2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone (PubChem CID 124956255) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone
PubChem CID124956255
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone
SMILESCOc1cccc(-c2cncc([C@@H]3CN(C(=O)Cc4c[nH]c5ccccc45)CCO3)n2)c1
InChIInChI=1S/C25H24N4O3/c1-31-19-6-4-5-17(11-19)22-14-26-15-23(28-22)24-16-29(9-10-32-24)25(30)12-18-13-27-21-8-3-2-7-20(18)21/h2-8,11,13-15,24,27H,9-10,12,16H2,1H3/t24-/m0/s1
InChIKeyFQEWHGITCSLRER-DEOSSOPVSA-N
XLogP3.78
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone 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

2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819896
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 129457912
1-[(2R)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 129457839
3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124952727
1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 127250571
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 124993546
(2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide
CID 125000431
1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819824
2-(1H-indol-3-yl)-1-[4-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810020
3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 155899693
2-hydroxy-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819992
3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 110102712

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone (CID 124956255) is 2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone is COc1cccc(-c2cncc([C@@H]3CN(C(=O)Cc4c[nH]c5ccccc45)CCO3)n2)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone?
The InChIKey is FQEWHGITCSLRER-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-31-19-6-4-5-17(11-19)22-14-26-15-23(28-22)24-16-29(9-10-32-24)25(30)12-18-13-27-21-8-3-2-7-20(18)21/h2-8,11,13-15,24,27H,9-10,12,16H2,1H3/t24-/m0/s1.
What are the key properties of 2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone?
2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone has a molecular weight of 428.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 124956255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).