[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone

C15H15N3O — CID 93240954

IUPAC[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2c3ccccc3C[C@@H]2C)cn1
InChIInChI=1S/C15H15N3O/c1-10-8-17-13(9-16-10)15(19)18-11(2)7-12-5-3-4-6-14(12)18/h3-6,8-9,11H,7H2,1-2H3/t11-/m0/s1
InChIKeyJRVZXUJFFGYUPR-NSHDSACASA-N
MW253.31 g/mol
LogP2.38
Rot. Bonds1

About [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 93240954) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID93240954
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2c3ccccc3C[C@@H]2C)cn1
InChIInChI=1S/C15H15N3O/c1-10-8-17-13(9-16-10)15(19)18-11(2)7-12-5-3-4-6-14(12)18/h3-6,8-9,11H,7H2,1-2H3/t11-/m0/s1
InChIKeyJRVZXUJFFGYUPR-NSHDSACASA-N
XLogP2.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
(2-methyl-2,3-dihydroindol-1-yl)-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278400
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178
[5-(4-fluoroanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109292582
[5-(butan-2-ylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109273480
[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109290952
(5-anilino-2-pyridinyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109197131
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide
CID 63724580
[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109277439
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
(2-methyl-2,3-dihydroindol-1-yl)-(5-piperidin-1-yl-2-pyridinyl)methanone
CID 109182883

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 93240954) is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2c3ccccc3C[C@@H]2C)cn1.
What is the InChIKey of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is JRVZXUJFFGYUPR-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-8-17-13(9-16-10)15(19)18-11(2)7-12-5-3-4-6-14(12)18/h3-6,8-9,11H,7H2,1-2H3/t11-/m0/s1.
What are the key properties of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone?
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 253.31 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 93240954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).