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

C21H20N4O — CID 109290400

IUPAC2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
SMILESCc1cc(C)cc(Nc2cnc(C(=O)N3CCc4ccccc43)cn2)c1
InChIInChI=1S/C21H20N4O/c1-14-9-15(2)11-17(10-14)24-20-13-22-18(12-23-20)21(26)25-8-7-16-5-3-4-6-19(16)25/h3-6,9-13H,7-8H2,1-2H3,(H,23,24)
InChIKeyDWYOFJBPSKHKMZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.04
Rot. Bonds3

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

2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone (PubChem CID 109290400) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
PubChem CID109290400
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
SMILESCc1cc(C)cc(Nc2cnc(C(=O)N3CCc4ccccc43)cn2)c1
InChIInChI=1S/C21H20N4O/c1-14-9-15(2)11-17(10-14)24-20-13-22-18(12-23-20)21(26)25-8-7-16-5-3-4-6-19(16)25/h3-6,9-13H,7-8H2,1-2H3,(H,23,24)
InChIKeyDWYOFJBPSKHKMZ-UHFFFAOYSA-N
XLogP4.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
CID 109284060
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109290407
2,3-dihydroindol-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280409
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109273397
4-[5-(3,5-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278795
2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109197734
3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone
CID 109290596
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594
1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 109356633

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone (CID 109290400) is 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone is Cc1cc(C)cc(Nc2cnc(C(=O)N3CCc4ccccc43)cn2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone?
The InChIKey is DWYOFJBPSKHKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-9-15(2)11-17(10-14)24-20-13-22-18(12-23-20)21(26)25-8-7-16-5-3-4-6-19(16)25/h3-6,9-13H,7-8H2,1-2H3,(H,23,24).
What are the key properties of 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone?
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109290400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).