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

C22H22N4O2 — CID 109293821

IUPAC[5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(C)cc1Nc1cnc(C(=O)N2c3ccccc3CC2C)cn1
InChIInChI=1S/C22H22N4O2/c1-14-8-9-20(28-3)17(10-14)25-21-13-23-18(12-24-21)22(27)26-15(2)11-16-6-4-5-7-19(16)26/h4-10,12-13,15H,11H2,1-3H3,(H,24,25)
InChIKeyMRKCEXBABOSVGS-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.13
Rot. Bonds4

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

[5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109293821) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109293821
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(C)cc1Nc1cnc(C(=O)N2c3ccccc3CC2C)cn1
InChIInChI=1S/C22H22N4O2/c1-14-8-9-20(28-3)17(10-14)25-21-13-23-18(12-24-21)22(27)26-15(2)11-16-6-4-5-7-19(16)26/h4-10,12-13,15H,11H2,1-3H3,(H,24,25)
InChIKeyMRKCEXBABOSVGS-UHFFFAOYSA-N
XLogP4.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109293910
[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
[6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109356866
methyl 3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazin-2-yl]amino]benzoate
CID 109294208
(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
[5-(butan-2-ylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109273480
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
CID 109356724
[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109277439
2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
CID 109127391

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109293821) is [5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is COc1ccc(C)cc1Nc1cnc(C(=O)N2c3ccccc3CC2C)cn1.
What is the InChIKey of [5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is MRKCEXBABOSVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-8-9-20(28-3)17(10-14)25-21-13-23-18(12-24-21)22(27)26-15(2)11-16-6-4-5-7-19(16)26/h4-10,12-13,15H,11H2,1-3H3,(H,24,25).
What are the key properties of [5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109293821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).