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

C19H14N8 — CID 123406848

IUPAC5-[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
SMILESCn1c2ncc(-c3ccc(C#N)nc3)nc2n1Cc1ccc2nccn2c1
InChIInChI=1S/C19H14N8/c1-25-18-19(24-16(10-23-18)14-3-4-15(8-20)22-9-14)27(25)12-13-2-5-17-21-6-7-26(17)11-13/h2-7,9-11H,12H2,1H3
InChIKeyXINCJJUJLPFXRW-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.40
Rot. Bonds3

About 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

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 (PubChem CID 123406848) has the molecular formula C19H14N8 and a molecular weight of 354.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID123406848
Molecular FormulaC19H14N8
Molecular Weight354.38 g/mol
Exact Mass354.13
IUPAC Name5-[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
SMILESCn1c2ncc(-c3ccc(C#N)nc3)nc2n1Cc1ccc2nccn2c1
InChIInChI=1S/C19H14N8/c1-25-18-19(24-16(10-23-18)14-3-4-15(8-20)22-9-14)27(25)12-13-2-5-17-21-6-7-26(17)11-13/h2-7,9-11H,12H2,1H3
InChIKeyXINCJJUJLPFXRW-UHFFFAOYSA-N
XLogP2.40
TPSA89.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]acetonitrile
CID 53261693
3-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(4-methoxyphenyl)-3-N-methylpyrazine-2,3-diamine
CID 118214027
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
3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-(1-propylpyrazol-4-yl)pyrazin-2-amine
CID 155150035
ethane;6-ethylimidazo[1,2-a]pyridine
CID 142917283
imidazo[1,2-a]pyridin-6-ylmethanol;hydrochloride
CID 71748611
2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione
CID 75365546
2-imidazo[1,2-a]pyridin-6-ylacetaldehyde
CID 54198783
6-(chloromethyl)imidazo[1,2-a]pyridine;hydrochloride
CID 19973456
2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol
CID 139321220
9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine
CID 176927547
3-[difluoro(imidazo[1,2-a]pyridin-6-yl)methyl]-5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 146941810

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c2ncc(-c3ccc(C#N)nc3)nc2n1Cc1ccc2nccn2c1.
What is the InChIKey of 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?
The InChIKey is XINCJJUJLPFXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8/c1-25-18-19(24-16(10-23-18)14-3-4-15(8-20)22-9-14)27(25)12-13-2-5-17-21-6-7-26(17)11-13/h2-7,9-11H,12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 354.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123406848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).