4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol

C15H14N4O3 — CID 60567803

IUPAC4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol
SMILESO=[N+]([O-])c1c(NCCc2ccc(O)cc2)nc2ccccn12
InChIInChI=1S/C15H14N4O3/c20-12-6-4-11(5-7-12)8-9-16-14-15(19(21)22)18-10-2-1-3-13(18)17-14/h1-7,10,16,20H,8-9H2
InChIKeyLJZJSRSAZPSVFW-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.60
Rot. Bonds5

About 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol

4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol (PubChem CID 60567803) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol
PubChem CID60567803
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol
SMILESO=[N+]([O-])c1c(NCCc2ccc(O)cc2)nc2ccccn12
InChIInChI=1S/C15H14N4O3/c20-12-6-4-11(5-7-12)8-9-16-14-15(19(21)22)18-10-2-1-3-13(18)17-14/h1-7,10,16,20H,8-9H2
InChIKeyLJZJSRSAZPSVFW-UHFFFAOYSA-N
XLogP2.60
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
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 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol 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

N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095557
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 56790398
2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 18142997
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095354
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095876
3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine
CID 18095865
3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile
CID 18095349
4-[2-(2-nitroanilino)ethyl]phenol
CID 47361180
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 32877185
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 55431762
N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095899
2-[2-[(4-chlorophenyl)methoxy]ethylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133390167

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol (CID 60567803) is 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol is O=[N+]([O-])c1c(NCCc2ccc(O)cc2)nc2ccccn12.
What is the InChIKey of 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol?
The InChIKey is LJZJSRSAZPSVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-12-6-4-11(5-7-12)8-9-16-14-15(19(21)22)18-10-2-1-3-13(18)17-14/h1-7,10,16,20H,8-9H2.
What are the key properties of 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol?
4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol has a molecular weight of 298.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 60567803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).