2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine

C17H12F2N8O2 — CID 67123966

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine
SMILESCC(Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ncc(F)cn1
InChIInChI=1S/C17H12F2N8O2/c1-9(15-21-4-11(19)5-22-15)24-17-13(27(28)29)7-23-16(25-17)12-6-20-14-3-2-10(18)8-26(12)14/h2-9H,1H3,(H,23,24,25)
InChIKeyUGJFRJSXMXOFGJ-UHFFFAOYSA-N
MW398.33 g/mol
LogP2.94
Rot. Bonds5

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine (PubChem CID 67123966) has the molecular formula C17H12F2N8O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine
PubChem CID67123966
Molecular FormulaC17H12F2N8O2
Molecular Weight398.33 g/mol
Exact Mass398.11
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine
SMILESCC(Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ncc(F)cn1
InChIInChI=1S/C17H12F2N8O2/c1-9(15-21-4-11(19)5-22-15)24-17-13(27(28)29)7-23-16(25-17)12-6-20-14-3-2-10(18)8-26(12)14/h2-9H,1H3,(H,23,24,25)
InChIKeyUGJFRJSXMXOFGJ-UHFFFAOYSA-N
XLogP2.94
TPSA124.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 52.94
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 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine (CID 67123966) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine is CC(Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ncc(F)cn1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine?
The InChIKey is UGJFRJSXMXOFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N8O2/c1-9(15-21-4-11(19)5-22-15)24-17-13(27(28)29)7-23-16(25-17)12-6-20-14-3-2-10(18)8-26(12)14/h2-9H,1H3,(H,23,24,25).
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine has a molecular weight of 398.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 67123966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).