[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone

C17H20N4O — CID 109273397

IUPAC[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCC(C)Nc1cnc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C17H20N4O/c1-3-12(2)20-16-11-18-14(10-19-16)17(22)21-9-8-13-6-4-5-7-15(13)21/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyUOLUJNYEAZHHEW-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.89
Rot. Bonds4

About [5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone

[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109273397) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109273397
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCC(C)Nc1cnc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C17H20N4O/c1-3-12(2)20-16-11-18-14(10-19-16)17(22)21-9-8-13-6-4-5-7-15(13)21/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyUOLUJNYEAZHHEW-UHFFFAOYSA-N
XLogP2.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109111436
[5-(butan-2-ylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109273480
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109290407
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
CID 109290400
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
2,3-dihydroindol-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280409
2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone
CID 97316548
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201577
2,3-dihydroindol-1-yl-[6-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]methanone
CID 133302732
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992

Frequently Asked Questions

What is the IUPAC name of [5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone (CID 109273397) is [5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone is CCC(C)Nc1cnc(C(=O)N2CCc3ccccc32)cn1.
What is the InChIKey of [5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is UOLUJNYEAZHHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-12(2)20-16-11-18-14(10-19-16)17(22)21-9-8-13-6-4-5-7-15(13)21/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of [5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone?
[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109273397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).