2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile

C21H13N5S — CID 134148617

IUPAC2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(-n2cnc3cnc4cnc(-c5ccsc5)cc4c32)cc1
InChIInChI=1S/C21H13N5S/c22-7-5-14-1-3-16(4-2-14)26-13-25-20-11-24-19-10-23-18(9-17(19)21(20)26)15-6-8-27-12-15/h1-4,6,8-13H,5H2
InChIKeyZZNXKYLUGWNRGG-UHFFFAOYSA-N
MW367.44 g/mol
LogP4.76
Rot. Bonds3

About 2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile

2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile (PubChem CID 134148617) has the molecular formula C21H13N5S and a molecular weight of 367.44 g/mol. Its IUPAC name is 2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile
PubChem CID134148617
Molecular FormulaC21H13N5S
Molecular Weight367.44 g/mol
Exact Mass367.09
IUPAC Name2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(-n2cnc3cnc4cnc(-c5ccsc5)cc4c32)cc1
InChIInChI=1S/C21H13N5S/c22-7-5-14-1-3-16(4-2-14)26-13-25-20-11-24-19-10-23-18(9-17(19)21(20)26)15-6-8-27-12-15/h1-4,6,8-13H,5H2
InChIKeyZZNXKYLUGWNRGG-UHFFFAOYSA-N
XLogP4.76
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile (CID 134148617) is 2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile is N#CCc1ccc(-n2cnc3cnc4cnc(-c5ccsc5)cc4c32)cc1.
What is the InChIKey of 2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile?
The InChIKey is ZZNXKYLUGWNRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5S/c22-7-5-14-1-3-16(4-2-14)26-13-25-20-11-24-19-10-23-18(9-17(19)21(20)26)15-6-8-27-12-15/h1-4,6,8-13H,5H2.
What are the key properties of 2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile?
2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile has a molecular weight of 367.44 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile is sourced from PubChem (CID 134148617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).