2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium

C19H14N8+2 — CID 123506380

IUPAC2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium
SMILESc1ccn2nc(-[n+]3ccc4nc(-[n+]5ccn6ccnc6c5)cn4c3)cc2c1
InChIInChI=1S/C19H14N8/c1-2-6-27-15(3-1)11-17(22-27)25-7-4-16-21-19(13-26(16)14-25)24-10-9-23-8-5-20-18(23)12-24/h1-14H/q+2
InChIKeyXGBNWCRGIWBRRZ-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.18
Rot. Bonds2

About 2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium

2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium (PubChem CID 123506380) has the molecular formula C19H14N8+2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium
PubChem CID123506380
Molecular FormulaC19H14N8+2
Molecular Weight354.38 g/mol
Exact Mass354.13
IUPAC Name2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium
SMILESc1ccn2nc(-[n+]3ccc4nc(-[n+]5ccn6ccnc6c5)cn4c3)cc2c1
InChIInChI=1S/C19H14N8/c1-2-6-27-15(3-1)11-17(22-27)25-7-4-16-21-19(13-26(16)14-25)24-10-9-23-8-5-20-18(23)12-24/h1-14H/q+2
InChIKeyXGBNWCRGIWBRRZ-UHFFFAOYSA-N
XLogP1.18
TPSA59.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium with MolForge

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Related Compounds

6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium
CID 123738084
7-imidazo[1,2-a]pyridin-2-ylimidazo[1,2-c]pyrimidine
CID 139315871
2-fluoroimidazo[1,2-a]pyridine
CID 68592134
pyrazolo[1,5-a]pyridin-2-ylmethanol
CID 12669575
pyrazolo[1,5-a]pyridin-2-ylmethanol;hydrochloride
CID 74890074
2-(fluoromethyl)pyrazolo[1,5-a]pyridine
CID 141102683
imidazo[1,2-a]pyridine;phenylmethanamine
CID 67154135
2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium
CID 90024240
4-methyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 90569617
carbanide;ethane;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;bis(yttrium)
CID 159110066
2-(2,6-dimethylphenyl)imidazo[1,5-a]pyridin-2-ium
CID 102144298
imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium
CID 158438415

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium?
The IUPAC name of 2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium (CID 123506380) is 2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium.
What is the SMILES notation for 2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium?
The canonical SMILES for 2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium is c1ccn2nc(-[n+]3ccc4nc(-[n+]5ccn6ccnc6c5)cn4c3)cc2c1.
What is the InChIKey of 2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium?
The InChIKey is XGBNWCRGIWBRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8/c1-2-6-27-15(3-1)11-17(22-27)25-7-4-16-21-19(13-26(16)14-25)24-10-9-23-8-5-20-18(23)12-24/h1-14H/q+2.
What are the key properties of 2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium?
2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium has a molecular weight of 354.38 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyrazin-7-ium-7-yl-6-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-c]pyrimidin-6-ium is sourced from PubChem (CID 123506380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).