[5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C22H22N4O3 — CID 109293910

IUPAC[5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(OC)c(Nc2cnc(C(=O)N3c4ccccc4CC3C)cn2)c1
InChIInChI=1S/C22H22N4O3/c1-14-10-15-6-4-5-7-19(15)26(14)22(27)18-12-24-21(13-23-18)25-17-11-16(28-2)8-9-20(17)29-3/h4-9,11-14H,10H2,1-3H3,(H,24,25)
InChIKeyRATUGIGMYLFWDW-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.83
Rot. Bonds5

About [5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109293910) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is [5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109293910
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name[5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(OC)c(Nc2cnc(C(=O)N3c4ccccc4CC3C)cn2)c1
InChIInChI=1S/C22H22N4O3/c1-14-10-15-6-4-5-7-19(15)26(14)22(27)18-12-24-21(13-23-18)25-17-11-16(28-2)8-9-20(17)29-3/h4-9,11-14H,10H2,1-3H3,(H,24,25)
InChIKeyRATUGIGMYLFWDW-UHFFFAOYSA-N
XLogP3.83
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109293821
[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109290952
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
methyl 3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazin-2-yl]amino]benzoate
CID 109294208
[4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109222011
3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone
CID 109290596
[5-(4-fluoroanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109292582
N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089816
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
[5-(butan-2-ylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109273480
2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone
CID 109197766
(2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280473

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109293910) is [5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is COc1ccc(OC)c(Nc2cnc(C(=O)N3c4ccccc4CC3C)cn2)c1.
What is the InChIKey of [5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is RATUGIGMYLFWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-10-15-6-4-5-7-19(15)26(14)22(27)18-12-24-21(13-23-18)25-17-11-16(28-2)8-9-20(17)29-3/h4-9,11-14H,10H2,1-3H3,(H,24,25).
What are the key properties of [5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 390.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109293910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).