3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

C17H15N3O4 — CID 39195720

IUPAC3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCc1cccn2c(CCC(=O)O)c(-c3cccc([N+](=O)[O-])c3)nc12
InChIInChI=1S/C17H15N3O4/c1-11-4-3-9-19-14(7-8-15(21)22)16(18-17(11)19)12-5-2-6-13(10-12)20(23)24/h2-6,9-10H,7-8H2,1H3,(H,21,22)
InChIKeyTZOJSRKPPFQNCX-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.24
Rot. Bonds5

About 3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (PubChem CID 39195720) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
PubChem CID39195720
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCc1cccn2c(CCC(=O)O)c(-c3cccc([N+](=O)[O-])c3)nc12
InChIInChI=1S/C17H15N3O4/c1-11-4-3-9-19-14(7-8-15(21)22)16(18-17(11)19)12-5-2-6-13(10-12)20(23)24/h2-6,9-10H,7-8H2,1H3,(H,21,22)
InChIKeyTZOJSRKPPFQNCX-UHFFFAOYSA-N
XLogP3.24
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.24
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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Related Compounds

(E)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023676
(Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide
CID 170877528
3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82035109
2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866412
3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029739
3-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195746
3-[4-methyl-5-(3-nitrophenyl)-1,3-oxazol-2-yl]propanoic acid
CID 43133305
3-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2759948
9-methyl-2-(3-nitroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 58357430
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46220572
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152

Frequently Asked Questions

What is the IUPAC name of 3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (CID 39195720) is 3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is Cc1cccn2c(CCC(=O)O)c(-c3cccc([N+](=O)[O-])c3)nc12.
What is the InChIKey of 3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The InChIKey is TZOJSRKPPFQNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-11-4-3-9-19-14(7-8-15(21)22)16(18-17(11)19)12-5-2-6-13(10-12)20(23)24/h2-6,9-10H,7-8H2,1H3,(H,21,22).
What are the key properties of 3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid has a molecular weight of 325.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 39195720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).