(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone

C16H16ClN3O2 — CID 138012731

IUPAC(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone
SMILESCCOc1cnc(C(=O)N2c3ccc(Cl)cc3CC2C)cn1
InChIInChI=1S/C16H16ClN3O2/c1-3-22-15-9-18-13(8-19-15)16(21)20-10(2)6-11-7-12(17)4-5-14(11)20/h4-5,7-10H,3,6H2,1-2H3
InChIKeyLFWNLFUIKWIGHH-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.12
Rot. Bonds3

About (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone

(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone (PubChem CID 138012731) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone
PubChem CID138012731
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone
SMILESCCOc1cnc(C(=O)N2c3ccc(Cl)cc3CC2C)cn1
InChIInChI=1S/C16H16ClN3O2/c1-3-22-15-9-18-13(8-19-15)16(21)20-10(2)6-11-7-12(17)4-5-14(11)20/h4-5,7-10H,3,6H2,1-2H3
InChIKeyLFWNLFUIKWIGHH-UHFFFAOYSA-N
XLogP3.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
CID 138012732
(6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 124877322
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
5-ethoxypyrazine-2-carbonyl chloride
CID 45081638
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
[5-(butan-2-ylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109273480
[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109193714
(2-methyl-2,3-dihydroindol-1-yl)-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278400
(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone
CID 56825583
N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide
CID 166408491
4-chloro-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82259137

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone?
The IUPAC name of (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone (CID 138012731) is (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone.
What is the SMILES notation for (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone?
The canonical SMILES for (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone is CCOc1cnc(C(=O)N2c3ccc(Cl)cc3CC2C)cn1.
What is the InChIKey of (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone?
The InChIKey is LFWNLFUIKWIGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-3-22-15-9-18-13(8-19-15)16(21)20-10(2)6-11-7-12(17)4-5-14(11)20/h4-5,7-10H,3,6H2,1-2H3.
What are the key properties of (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone?
(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone has a molecular weight of 317.78 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone is sourced from PubChem (CID 138012731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).