1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid

C13H14N4O4 — CID 43442018

IUPAC1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O4/c18-13(19)10-4-3-6-15(10)8-9-12(17(20)21)16-7-2-1-5-11(16)14-9/h1-2,5,7,10H,3-4,6,8H2,(H,18,19)
InChIKeyRQPBFRHQSVDELY-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.29
Rot. Bonds4

About 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid

1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43442018) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID43442018
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O4/c18-13(19)10-4-3-6-15(10)8-9-12(17(20)21)16-7-2-1-5-11(16)14-9/h1-2,5,7,10H,3-4,6,8H2,(H,18,19)
InChIKeyRQPBFRHQSVDELY-UHFFFAOYSA-N
XLogP1.29
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62013767
(2R)-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119934738
(2R)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 163320874
(2S)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910425
1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909636
2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid
CID 43352455
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 103186194
1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine
CID 79542495
(3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 100626150
(2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913872
1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43442128
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079

Frequently Asked Questions

What is the IUPAC name of 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 43442018) is 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RQPBFRHQSVDELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c18-13(19)10-4-3-6-15(10)8-9-12(17(20)21)16-7-2-1-5-11(16)14-9/h1-2,5,7,10H,3-4,6,8H2,(H,18,19).
What are the key properties of 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43442018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).