4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine

C23H14ClFN6O2 — CID 10183076

IUPAC4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine
SMILESO=[N+]([O-])c1cccc(-c2nc3c(Cl)cccn3c2-c2ccnc(Nc3ccc(F)cc3)n2)c1
InChIInChI=1S/C23H14ClFN6O2/c24-18-5-2-12-30-21(20(29-22(18)30)14-3-1-4-17(13-14)31(32)33)19-10-11-26-23(28-19)27-16-8-6-15(25)7-9-16/h1-13H,(H,26,27,28)
InChIKeyQPOPODZKCFDSOK-UHFFFAOYSA-N
MW460.86 g/mol
LogP5.90
Rot. Bonds5

About 4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine

4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine (PubChem CID 10183076) has the molecular formula C23H14ClFN6O2 and a molecular weight of 460.86 g/mol. Its IUPAC name is 4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine
PubChem CID10183076
Molecular FormulaC23H14ClFN6O2
Molecular Weight460.86 g/mol
Exact Mass460.09
IUPAC Name4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine
SMILESO=[N+]([O-])c1cccc(-c2nc3c(Cl)cccn3c2-c2ccnc(Nc3ccc(F)cc3)n2)c1
InChIInChI=1S/C23H14ClFN6O2/c24-18-5-2-12-30-21(20(29-22(18)30)14-3-1-4-17(13-14)31(32)33)19-10-11-26-23(28-19)27-16-8-6-15(25)7-9-16/h1-13H,(H,26,27,28)
InChIKeyQPOPODZKCFDSOK-UHFFFAOYSA-N
XLogP5.90
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.86
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine (CID 10183076) is 4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine is O=[N+]([O-])c1cccc(-c2nc3c(Cl)cccn3c2-c2ccnc(Nc3ccc(F)cc3)n2)c1.
What is the InChIKey of 4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine?
The InChIKey is QPOPODZKCFDSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN6O2/c24-18-5-2-12-30-21(20(29-22(18)30)14-3-1-4-17(13-14)31(32)33)19-10-11-26-23(28-19)27-16-8-6-15(25)7-9-16/h1-13H,(H,26,27,28).
What are the key properties of 4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine?
4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine has a molecular weight of 460.86 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 10183076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).