8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide

C33H20F6N8O3 — CID 157267899

IUPAC8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12)c1ncccn1.O=[N+]([O-])c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C19H12F3N5O.C14H8F3N3O2/c20-19(21,22)13-5-1-4-12(10-13)15-11-27-9-2-6-14(17(27)25-15)26-18(28)16-23-7-3-8-24-16;15-14(16,17)10-4-1-3-9(7-10)11-8-19-6-2-5-12(20(21)22)13(19)18-11/h1-11H,(H,26,28);1-8H
InChIKeyAYEXHAFVCUOMDM-UHFFFAOYSA-N
MW690.56 g/mol
LogP7.99
Rot. Bonds5

About 8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide

8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide (PubChem CID 157267899) has the molecular formula C33H20F6N8O3 and a molecular weight of 690.56 g/mol. Its IUPAC name is 8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide
PubChem CID157267899
Molecular FormulaC33H20F6N8O3
Molecular Weight690.56 g/mol
Exact Mass690.16
IUPAC Name8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12)c1ncccn1.O=[N+]([O-])c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C19H12F3N5O.C14H8F3N3O2/c20-19(21,22)13-5-1-4-12(10-13)15-11-27-9-2-6-14(17(27)25-15)26-18(28)16-23-7-3-8-24-16;15-14(16,17)10-4-1-3-9(7-10)11-8-19-6-2-5-12(20(21)22)13(19)18-11/h1-11H,(H,26,28);1-8H
InChIKeyAYEXHAFVCUOMDM-UHFFFAOYSA-N
XLogP7.99
TPSA132.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.56
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide?
The IUPAC name of 8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide (CID 157267899) is 8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide is O=C(Nc1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12)c1ncccn1.O=[N+]([O-])c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide?
The InChIKey is AYEXHAFVCUOMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O.C14H8F3N3O2/c20-19(21,22)13-5-1-4-12(10-13)15-11-27-9-2-6-14(17(27)25-15)26-18(28)16-23-7-3-8-24-16;15-14(16,17)10-4-1-3-9(7-10)11-8-19-6-2-5-12(20(21)22)13(19)18-11/h1-11H,(H,26,28);1-8H.
What are the key properties of 8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide?
8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide has a molecular weight of 690.56 g/mol, XLogP of 7.99, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;N-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 157267899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).