2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine

C17H11F2N7O2 — CID 67262085

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NCc1ccc(F)cn1
InChIInChI=1S/C17H11F2N7O2/c18-10-1-3-12(20-5-10)6-22-17-14(26(27)28)8-23-16(24-17)13-7-21-15-4-2-11(19)9-25(13)15/h1-5,7-9H,6H2,(H,22,23,24)
InChIKeyXMSDHGYTXFJOJJ-UHFFFAOYSA-N
MW383.32 g/mol
LogP2.98
Rot. Bonds5

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

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine (PubChem CID 67262085) has the molecular formula C17H11F2N7O2 and a molecular weight of 383.32 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine
PubChem CID67262085
Molecular FormulaC17H11F2N7O2
Molecular Weight383.32 g/mol
Exact Mass383.09
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NCc1ccc(F)cn1
InChIInChI=1S/C17H11F2N7O2/c18-10-1-3-12(20-5-10)6-22-17-14(26(27)28)8-23-16(24-17)13-7-21-15-4-2-11(19)9-25(13)15/h1-5,7-9H,6H2,(H,22,23,24)
InChIKeyXMSDHGYTXFJOJJ-UHFFFAOYSA-N
XLogP2.98
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 52.98
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)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine (CID 67262085) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine is O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NCc1ccc(F)cn1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine?
The InChIKey is XMSDHGYTXFJOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N7O2/c18-10-1-3-12(20-5-10)6-22-17-14(26(27)28)8-23-16(24-17)13-7-21-15-4-2-11(19)9-25(13)15/h1-5,7-9H,6H2,(H,22,23,24).
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine has a molecular weight of 383.32 g/mol, XLogP of 2.98, 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)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 67262085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).