2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine

C16H16N4O2 — CID 23156205

IUPAC2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)ccnc2n1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N4O2/c1-3-14-18-15-11(2)8-9-17-16(15)19(14)10-12-4-6-13(7-5-12)20(21)22/h4-9H,3,10H2,1-2H3
InChIKeyIASGTWYUHMNVFV-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.26
Rot. Bonds4

About 2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine

2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 23156205) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine
PubChem CID23156205
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)ccnc2n1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N4O2/c1-3-14-18-15-11(2)8-9-17-16(15)19(14)10-12-4-6-13(7-5-12)20(21)22/h4-9H,3,10H2,1-2H3
InChIKeyIASGTWYUHMNVFV-UHFFFAOYSA-N
XLogP3.26
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine (CID 23156205) is 2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine is CCc1nc2c(C)ccnc2n1Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is IASGTWYUHMNVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-3-14-18-15-11(2)8-9-17-16(15)19(14)10-12-4-6-13(7-5-12)20(21)22/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine?
2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 296.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 23156205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).