2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C17H12FN7O2 — CID 67123771

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESO=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NCc1ccccn1
InChIInChI=1S/C17H12FN7O2/c18-11-4-5-15-20-8-13(24(15)10-11)16-22-9-14(25(26)27)17(23-16)21-7-12-3-1-2-6-19-12/h1-6,8-10H,7H2,(H,21,22,23)
InChIKeyVAQANHTXQIOLME-UHFFFAOYSA-N
MW365.33 g/mol
LogP2.85
Rot. Bonds5

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 67123771) has the molecular formula C17H12FN7O2 and a molecular weight of 365.33 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID67123771
Molecular FormulaC17H12FN7O2
Molecular Weight365.33 g/mol
Exact Mass365.10
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESO=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NCc1ccccn1
InChIInChI=1S/C17H12FN7O2/c18-11-4-5-15-20-8-13(24(15)10-11)16-22-9-14(25(26)27)17(23-16)21-7-12-3-1-2-6-19-12/h1-6,8-10H,7H2,(H,21,22,23)
InChIKeyVAQANHTXQIOLME-UHFFFAOYSA-N
XLogP2.85
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 67123771) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NCc1ccccn1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is VAQANHTXQIOLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN7O2/c18-11-4-5-15-20-8-13(24(15)10-11)16-22-9-14(25(26)27)17(23-16)21-7-12-3-1-2-6-19-12/h1-6,8-10H,7H2,(H,21,22,23).
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 365.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 67123771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).