5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile

C18H11N9 — CID 54759721

IUPAC5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1
InChIInChI=1S/C18H11N9/c19-7-14-3-2-13(8-21-14)15-9-22-17-18(23-15)27(25-24-17)11-12-1-4-16-20-5-6-26(16)10-12/h1-6,8-10H,11H2
InChIKeyHSRDGJFPXDGZFT-UHFFFAOYSA-N
MW353.35 g/mol
LogP1.85
Rot. Bonds3

About 5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile

5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile (PubChem CID 54759721) has the molecular formula C18H11N9 and a molecular weight of 353.35 g/mol. Its IUPAC name is 5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile
PubChem CID54759721
Molecular FormulaC18H11N9
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1
InChIInChI=1S/C18H11N9/c19-7-14-3-2-13(8-21-14)15-9-22-17-18(23-15)27(25-24-17)11-12-1-4-16-20-5-6-26(16)10-12/h1-6,8-10H,11H2
InChIKeyHSRDGJFPXDGZFT-UHFFFAOYSA-N
XLogP1.85
TPSA110.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile (CID 54759721) is 5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile is N#Cc1ccc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1.
What is the InChIKey of 5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile?
The InChIKey is HSRDGJFPXDGZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N9/c19-7-14-3-2-13(8-21-14)15-9-22-17-18(23-15)27(25-24-17)11-12-1-4-16-20-5-6-26(16)10-12/h1-6,8-10H,11H2.
What are the key properties of 5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile?
5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile has a molecular weight of 353.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 54759721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).