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

C22H22N4O — CID 109290952

IUPAC[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc(C)c(Nc2cnc(C(=O)N3c4ccccc4CC3C)cn2)c1
InChIInChI=1S/C22H22N4O/c1-14-8-9-15(2)18(10-14)25-21-13-23-19(12-24-21)22(27)26-16(3)11-17-6-4-5-7-20(17)26/h4-10,12-13,16H,11H2,1-3H3,(H,24,25)
InChIKeyZHXUHUNFYQHAEM-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.43
Rot. Bonds3

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

[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109290952) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109290952
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc(C)c(Nc2cnc(C(=O)N3c4ccccc4CC3C)cn2)c1
InChIInChI=1S/C22H22N4O/c1-14-8-9-15(2)18(10-14)25-21-13-23-19(12-24-21)22(27)26-16(3)11-17-6-4-5-7-20(17)26/h4-10,12-13,16H,11H2,1-3H3,(H,24,25)
InChIKeyZHXUHUNFYQHAEM-UHFFFAOYSA-N
XLogP4.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109293821
[6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109356866
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
[5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109293910
(2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280473
[5-(4-fluoroanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109292582
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
methyl 3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazin-2-yl]amino]benzoate
CID 109294208
[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109277439
N-(2,5-dimethylphenyl)-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108285
[5-(butan-2-ylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109273480
2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9079616

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109290952) is [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1ccc(C)c(Nc2cnc(C(=O)N3c4ccccc4CC3C)cn2)c1.
What is the InChIKey of [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is ZHXUHUNFYQHAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-8-9-15(2)18(10-14)25-21-13-23-19(12-24-21)22(27)26-16(3)11-17-6-4-5-7-20(17)26/h4-10,12-13,16H,11H2,1-3H3,(H,24,25).
What are the key properties of [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 358.45 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109290952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).