[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone

C23H22N4O2 — CID 90656769

IUPAC[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone
SMILESCN(C)CCOc1cncc(-c2ccc3[nH]cc(C(=O)c4ccccc4)c3c2)n1
InChIInChI=1S/C23H22N4O2/c1-27(2)10-11-29-22-15-24-14-21(26-22)17-8-9-20-18(12-17)19(13-25-20)23(28)16-6-4-3-5-7-16/h3-9,12-15,25H,10-11H2,1-2H3
InChIKeyDUGDFKUIWONRNM-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.80
Rot. Bonds7

About [5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone

[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone (PubChem CID 90656769) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is [5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone
PubChem CID90656769
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone
SMILESCN(C)CCOc1cncc(-c2ccc3[nH]cc(C(=O)c4ccccc4)c3c2)n1
InChIInChI=1S/C23H22N4O2/c1-27(2)10-11-29-22-15-24-14-21(26-22)17-8-9-20-18(12-17)19(13-25-20)23(28)16-6-4-3-5-7-16/h3-9,12-15,25H,10-11H2,1-2H3
InChIKeyDUGDFKUIWONRNM-UHFFFAOYSA-N
XLogP3.80
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone?
The IUPAC name of [5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone (CID 90656769) is [5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone.
What is the SMILES notation for [5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone?
The canonical SMILES for [5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone is CN(C)CCOc1cncc(-c2ccc3[nH]cc(C(=O)c4ccccc4)c3c2)n1.
What is the InChIKey of [5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone?
The InChIKey is DUGDFKUIWONRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-27(2)10-11-29-22-15-24-14-21(26-22)17-8-9-20-18(12-17)19(13-25-20)23(28)16-6-4-3-5-7-16/h3-9,12-15,25H,10-11H2,1-2H3.
What are the key properties of [5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone?
[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone has a molecular weight of 386.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone is sourced from PubChem (CID 90656769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).