2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone

C20H22N4O — CID 166231825

IUPAC2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone
SMILESCCc1cccc2c(CC(=O)N3CCN(C)c4ccncc43)c[nH]c12
InChIInChI=1S/C20H22N4O/c1-3-14-5-4-6-16-15(12-22-20(14)16)11-19(25)24-10-9-23(2)17-7-8-21-13-18(17)24/h4-8,12-13,22H,3,9-11H2,1-2H3
InChIKeyVFCXVAXWZAGZHH-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.15
Rot. Bonds3

About 2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone

2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone (PubChem CID 166231825) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone
PubChem CID166231825
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone
SMILESCCc1cccc2c(CC(=O)N3CCN(C)c4ccncc43)c[nH]c12
InChIInChI=1S/C20H22N4O/c1-3-14-5-4-6-16-15(12-22-20(14)16)11-19(25)24-10-9-23(2)17-7-8-21-13-18(17)24/h4-8,12-13,22H,3,9-11H2,1-2H3
InChIKeyVFCXVAXWZAGZHH-UHFFFAOYSA-N
XLogP3.15
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone?
The IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone (CID 166231825) is 2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone.
What is the SMILES notation for 2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone?
The canonical SMILES for 2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone is CCc1cccc2c(CC(=O)N3CCN(C)c4ccncc43)c[nH]c12.
What is the InChIKey of 2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone?
The InChIKey is VFCXVAXWZAGZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-14-5-4-6-16-15(12-22-20(14)16)11-19(25)24-10-9-23(2)17-7-8-21-13-18(17)24/h4-8,12-13,22H,3,9-11H2,1-2H3.
What are the key properties of 2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone?
2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone has a molecular weight of 334.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone is sourced from PubChem (CID 166231825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).