2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium

C20H16N4+2 — CID 90024240

IUPAC2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium
SMILESc1ccn2c[n+](-c3ccc(-[n+]4cc5ccccn5c4)cc3)cc2c1
InChIInChI=1S/C20H16N4/c1-3-11-21-15-23(13-19(21)5-1)17-7-9-18(10-8-17)24-14-20-6-2-4-12-22(20)16-24/h1-16H/q+2
InChIKeyIVMRQUVEXITVDQ-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.75
Rot. Bonds2

About 2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium

2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium (PubChem CID 90024240) has the molecular formula C20H16N4+2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium.

Molecular Properties

Compound Name2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium
PubChem CID90024240
Molecular FormulaC20H16N4+2
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium
SMILESc1ccn2c[n+](-c3ccc(-[n+]4cc5ccccn5c4)cc3)cc2c1
InChIInChI=1S/C20H16N4/c1-3-11-21-15-23(13-19(21)5-1)17-7-9-18(10-8-17)24-14-20-6-2-4-12-22(20)16-24/h1-16H/q+2
InChIKeyIVMRQUVEXITVDQ-UHFFFAOYSA-N
XLogP2.75
TPSA16.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium?
The IUPAC name of 2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium (CID 90024240) is 2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium.
What is the SMILES notation for 2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium?
The canonical SMILES for 2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium is c1ccn2c[n+](-c3ccc(-[n+]4cc5ccccn5c4)cc3)cc2c1.
What is the InChIKey of 2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium?
The InChIKey is IVMRQUVEXITVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-3-11-21-15-23(13-19(21)5-1)17-7-9-18(10-8-17)24-14-20-6-2-4-12-22(20)16-24/h1-16H/q+2.
What are the key properties of 2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium?
2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium has a molecular weight of 312.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazo[1,5-a]pyridin-2-ium-2-ylphenyl)imidazo[1,5-a]pyridin-2-ium is sourced from PubChem (CID 90024240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).