2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide

C26H27N7O2 — CID 145234467

IUPAC2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide
SMILESN#Cc1ccc2[nH]cc(CCCN3CCN(c4nccc5nc(OCC(N)=O)ccc45)CC3)c2c1
InChIInChI=1S/C26H27N7O2/c27-15-18-3-5-22-21(14-18)19(16-30-22)2-1-9-32-10-12-33(13-11-32)26-20-4-6-25(35-17-24(28)34)31-23(20)7-8-29-26/h3-8,14,16,30H,1-2,9-13,17H2,(H2,28,34)
InChIKeyXUPLUOBJYRJGRS-UHFFFAOYSA-N
MW469.55 g/mol
LogP2.60
Rot. Bonds8

About 2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide

2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide (PubChem CID 145234467) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide
PubChem CID145234467
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide
SMILESN#Cc1ccc2[nH]cc(CCCN3CCN(c4nccc5nc(OCC(N)=O)ccc45)CC3)c2c1
InChIInChI=1S/C26H27N7O2/c27-15-18-3-5-22-21(14-18)19(16-30-22)2-1-9-32-10-12-33(13-11-32)26-20-4-6-25(35-17-24(28)34)31-23(20)7-8-29-26/h3-8,14,16,30H,1-2,9-13,17H2,(H2,28,34)
InChIKeyXUPLUOBJYRJGRS-UHFFFAOYSA-N
XLogP2.60
TPSA124.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide?
The IUPAC name of 2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide (CID 145234467) is 2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide.
What is the SMILES notation for 2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide?
The canonical SMILES for 2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide is N#Cc1ccc2[nH]cc(CCCN3CCN(c4nccc5nc(OCC(N)=O)ccc45)CC3)c2c1.
What is the InChIKey of 2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide?
The InChIKey is XUPLUOBJYRJGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c27-15-18-3-5-22-21(14-18)19(16-30-22)2-1-9-32-10-12-33(13-11-32)26-20-4-6-25(35-17-24(28)34)31-23(20)7-8-29-26/h3-8,14,16,30H,1-2,9-13,17H2,(H2,28,34).
What are the key properties of 2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide?
2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide has a molecular weight of 469.55 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide is sourced from PubChem (CID 145234467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).