4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine

C27H27N5O3 — CID 46234510

IUPAC4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine
SMILESCOc1cc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3n2)ccc1OCCN1CCOCC1
InChIInChI=1S/C27H27N5O3/c1-33-25-15-19(3-5-24(25)35-13-10-32-8-11-34-12-9-32)23-17-30-27-26(31-23)21(16-29-27)18-2-4-22-20(14-18)6-7-28-22/h2-7,14-17,28H,8-13H2,1H3,(H,29,30)
InChIKeyGCGNWPOGIGTHLD-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.49
Rot. Bonds7

About 4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine

4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine (PubChem CID 46234510) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine
PubChem CID46234510
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine
SMILESCOc1cc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3n2)ccc1OCCN1CCOCC1
InChIInChI=1S/C27H27N5O3/c1-33-25-15-19(3-5-24(25)35-13-10-32-8-11-34-12-9-32)23-17-30-27-26(31-23)21(16-29-27)18-2-4-22-20(14-18)6-7-28-22/h2-7,14-17,28H,8-13H2,1H3,(H,29,30)
InChIKeyGCGNWPOGIGTHLD-UHFFFAOYSA-N
XLogP4.49
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine (CID 46234510) is 4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine is COc1cc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3n2)ccc1OCCN1CCOCC1.
What is the InChIKey of 4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine?
The InChIKey is GCGNWPOGIGTHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-33-25-15-19(3-5-24(25)35-13-10-32-8-11-34-12-9-32)23-17-30-27-26(31-23)21(16-29-27)18-2-4-22-20(14-18)6-7-28-22/h2-7,14-17,28H,8-13H2,1H3,(H,29,30).
What are the key properties of 4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine?
4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine has a molecular weight of 469.55 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[7-(1H-indol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-methoxyphenoxy]ethyl]morpholine is sourced from PubChem (CID 46234510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).