1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium

C17H16N5+ — CID 170690800

IUPAC1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium
SMILESCc1cc(C[n+]2cn(-c3ccccc3)c3ncccc32)n[nH]1
InChIInChI=1S/C17H16N5/c1-13-10-14(20-19-13)11-21-12-22(15-6-3-2-4-7-15)17-16(21)8-5-9-18-17/h2-10,12H,11H2,1H3,(H,19,20)/q+1
InChIKeySVLVIUDKLFMYQR-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.39
Rot. Bonds3

About 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium

1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium (PubChem CID 170690800) has the molecular formula C17H16N5+ and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium
PubChem CID170690800
Molecular FormulaC17H16N5+
Molecular Weight290.35 g/mol
Exact Mass290.14
IUPAC Name1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium
SMILESCc1cc(C[n+]2cn(-c3ccccc3)c3ncccc32)n[nH]1
InChIInChI=1S/C17H16N5/c1-13-10-14(20-19-13)11-21-12-22(15-6-3-2-4-7-15)17-16(21)8-5-9-18-17/h2-10,12H,11H2,1H3,(H,19,20)/q+1
InChIKeySVLVIUDKLFMYQR-UHFFFAOYSA-N
XLogP2.39
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
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 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium (CID 170690800) is 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium is Cc1cc(C[n+]2cn(-c3ccccc3)c3ncccc32)n[nH]1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium?
The InChIKey is SVLVIUDKLFMYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N5/c1-13-10-14(20-19-13)11-21-12-22(15-6-3-2-4-7-15)17-16(21)8-5-9-18-17/h2-10,12H,11H2,1H3,(H,19,20)/q+1.
What are the key properties of 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium?
1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium has a molecular weight of 290.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylimidazo[4,5-b]pyridin-1-ium is sourced from PubChem (CID 170690800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).