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

C22H22N4O — CID 109280473

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
SMILESCc1cccc(CNc2cnc(C(=O)N3c4ccccc4CC3C)cn2)c1
InChIInChI=1S/C22H22N4O/c1-15-6-5-7-17(10-15)12-24-21-14-23-19(13-25-21)22(27)26-16(2)11-18-8-3-4-9-20(18)26/h3-10,13-14,16H,11-12H2,1-2H3,(H,24,25)
InChIKeyAJZGVPZVTLITRC-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.99
Rot. Bonds4

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

(2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone (PubChem CID 109280473) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
PubChem CID109280473
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
SMILESCc1cccc(CNc2cnc(C(=O)N3c4ccccc4CC3C)cn2)c1
InChIInChI=1S/C22H22N4O/c1-15-6-5-7-17(10-15)12-24-21-14-23-19(13-25-21)22(27)26-16(2)11-18-8-3-4-9-20(18)26/h3-10,13-14,16H,11-12H2,1-2H3,(H,24,25)
InChIKeyAJZGVPZVTLITRC-UHFFFAOYSA-N
XLogP3.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone with MolForge

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Related Compounds

[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109281775
2,3-dihydroindol-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280409
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109290952
[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109277439
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
[5-(2-methoxy-5-methylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109293821
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085832
azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280403
[5-(butan-2-ylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109273480
[5-(4-fluoroanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109292582
methyl 3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazin-2-yl]amino]benzoate
CID 109294208

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone (CID 109280473) is (2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone is Cc1cccc(CNc2cnc(C(=O)N3c4ccccc4CC3C)cn2)c1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone?
The InChIKey is AJZGVPZVTLITRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-6-5-7-17(10-15)12-24-21-14-23-19(13-25-21)22(27)26-16(2)11-18-8-3-4-9-20(18)26/h3-10,13-14,16H,11-12H2,1-2H3,(H,24,25).
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone has a molecular weight of 358.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone is sourced from PubChem (CID 109280473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).