2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium

C14H13N6+ — CID 123575187

IUPAC2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium
SMILESCc1[nH]c2ncccc2[n+]1Cc1[nH]nc2cccnc12
InChIInChI=1S/C14H12N6/c1-9-17-14-12(5-3-7-16-14)20(9)8-11-13-10(18-19-11)4-2-6-15-13/h2-7H,8H2,1H3,(H,15,18,19)/p+1
InChIKeyIJBJMSIKIWUBFW-UHFFFAOYSA-O
MW265.30 g/mol
LogP1.48
Rot. Bonds2

About 2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium

2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium (PubChem CID 123575187) has the molecular formula C14H13N6+ and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium.

Molecular Properties

Compound Name2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium
PubChem CID123575187
Molecular FormulaC14H13N6+
Molecular Weight265.30 g/mol
Exact Mass265.12
IUPAC Name2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium
SMILESCc1[nH]c2ncccc2[n+]1Cc1[nH]nc2cccnc12
InChIInChI=1S/C14H12N6/c1-9-17-14-12(5-3-7-16-14)20(9)8-11-13-10(18-19-11)4-2-6-15-13/h2-7H,8H2,1H3,(H,15,18,19)/p+1
InChIKeyIJBJMSIKIWUBFW-UHFFFAOYSA-O
XLogP1.48
TPSA74.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium?
The IUPAC name of 2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium (CID 123575187) is 2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium.
What is the SMILES notation for 2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium?
The canonical SMILES for 2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium is Cc1[nH]c2ncccc2[n+]1Cc1[nH]nc2cccnc12.
What is the InChIKey of 2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium?
The InChIKey is IJBJMSIKIWUBFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H12N6/c1-9-17-14-12(5-3-7-16-14)20(9)8-11-13-10(18-19-11)4-2-6-15-13/h2-7H,8H2,1H3,(H,15,18,19)/p+1.
What are the key properties of 2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium?
2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium has a molecular weight of 265.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-3H-imidazo[4,5-b]pyridin-1-ium is sourced from PubChem (CID 123575187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).