N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide

C21H15FN4O3 — CID 5181870

IUPACN-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn23)cc1[N+](=O)[O-]
InChIInChI=1S/C21H15FN4O3/c1-13-5-6-15(12-17(13)26(28)29)21(27)24-20-19(14-7-9-16(22)10-8-14)23-18-4-2-3-11-25(18)20/h2-12H,1H3,(H,24,27)
InChIKeyALJDCZDSEXPVLP-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.61
Rot. Bonds4

About N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide

N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide (PubChem CID 5181870) has the molecular formula C21H15FN4O3 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide
PubChem CID5181870
Molecular FormulaC21H15FN4O3
Molecular Weight390.37 g/mol
Exact Mass390.11
IUPAC NameN-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn23)cc1[N+](=O)[O-]
InChIInChI=1S/C21H15FN4O3/c1-13-5-6-15(12-17(13)26(28)29)21(27)24-20-19(14-7-9-16(22)10-8-14)23-18-4-2-3-11-25(18)20/h2-12H,1H3,(H,24,27)
InChIKeyALJDCZDSEXPVLP-UHFFFAOYSA-N
XLogP4.61
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
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 N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide (CID 5181870) is N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn23)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide?
The InChIKey is ALJDCZDSEXPVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O3/c1-13-5-6-15(12-17(13)26(28)29)21(27)24-20-19(14-7-9-16(22)10-8-14)23-18-4-2-3-11-25(18)20/h2-12H,1H3,(H,24,27).
What are the key properties of N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide?
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide has a molecular weight of 390.37 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 5181870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).