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

C17H12N10 — CID 53261693

IUPAC2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile
SMILESN#CCn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1
InChIInChI=1S/C17H12N10/c18-3-5-26-11-13(7-21-26)14-8-20-16-17(22-14)27(24-23-16)10-12-1-2-15-19-4-6-25(15)9-12/h1-2,4,6-9,11H,5,10H2
InChIKeyFVAWJFCQZGYIKZ-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.30
Rot. Bonds4

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

2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile (PubChem CID 53261693) has the molecular formula C17H12N10 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile
PubChem CID53261693
Molecular FormulaC17H12N10
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile
SMILESN#CCn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1
InChIInChI=1S/C17H12N10/c18-3-5-26-11-13(7-21-26)14-8-20-16-17(22-14)27(24-23-16)10-12-1-2-15-19-4-6-25(15)9-12/h1-2,4,6-9,11H,5,10H2
InChIKeyFVAWJFCQZGYIKZ-UHFFFAOYSA-N
XLogP1.30
TPSA115.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[4-[3-[[3-(hydroxymethyl)pyrazolo[1,2-a]pyridazin-9-ium-6-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 157366960
3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 53262254
3-[difluoro(imidazo[1,2-a]pyridin-6-yl)methyl]-5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 146941810
6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 59341868
methanesulfonic acid;2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 24852079
6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine
CID 118214093
6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline
CID 59341841
5-[8-(imidazo[1,2-a]pyridin-6-ylmethyl)-7-methyl-2,5,7,8-tetrazabicyclo[4.2.0]octa-1,3,5-trien-3-yl]pyridine-2-carbonitrile
CID 123406848
5-[1-(dimethylphosphorylmethyl)pyrrol-3-yl]-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine
CID 163933665
3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 147969471
2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol
CID 139321220
3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-(1-propylpyrazol-4-yl)pyrazin-2-amine
CID 155150035

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile?
The IUPAC name of 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile (CID 53261693) is 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile is N#CCn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1.
What is the InChIKey of 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile?
The InChIKey is FVAWJFCQZGYIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N10/c18-3-5-26-11-13(7-21-26)14-8-20-16-17(22-14)27(24-23-16)10-12-1-2-15-19-4-6-25(15)9-12/h1-2,4,6-9,11H,5,10H2.
What are the key properties of 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile?
2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile has a molecular weight of 356.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile is sourced from PubChem (CID 53261693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).