3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium

C19H17N7+2 — CID 88866559

IUPAC3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium
SMILESC[n+]1cn(-c2cncc(-n3c[n+](C)c4ncccc43)c2)c2cccnc21
InChIInChI=1S/C19H17N7/c1-23-12-25(16-5-3-7-21-18(16)23)14-9-15(11-20-10-14)26-13-24(2)19-17(26)6-4-8-22-19/h3-13H,1-2H3/q+2
InChIKeyCNUXVGXAODBEFP-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.41
Rot. Bonds2

About 3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium

3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium (PubChem CID 88866559) has the molecular formula C19H17N7+2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium.

Molecular Properties

Compound Name3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium
PubChem CID88866559
Molecular FormulaC19H17N7+2
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium
SMILESC[n+]1cn(-c2cncc(-n3c[n+](C)c4ncccc43)c2)c2cccnc21
InChIInChI=1S/C19H17N7/c1-23-12-25(16-5-3-7-21-18(16)23)14-9-15(11-20-10-14)26-13-24(2)19-17(26)6-4-8-22-19/h3-13H,1-2H3/q+2
InChIKeyCNUXVGXAODBEFP-UHFFFAOYSA-N
XLogP1.41
TPSA56.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium?
The IUPAC name of 3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium (CID 88866559) is 3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium.
What is the SMILES notation for 3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium?
The canonical SMILES for 3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium is C[n+]1cn(-c2cncc(-n3c[n+](C)c4ncccc43)c2)c2cccnc21.
What is the InChIKey of 3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium?
The InChIKey is CNUXVGXAODBEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7/c1-23-12-25(16-5-3-7-21-18(16)23)14-9-15(11-20-10-14)26-13-24(2)19-17(26)6-4-8-22-19/h3-13H,1-2H3/q+2.
What are the key properties of 3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium?
3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium has a molecular weight of 343.39 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium is sourced from PubChem (CID 88866559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).