3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine

C54H39ClF6N22O7 — CID 160979802

About 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine

3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine (PubChem CID 160979802) has the molecular formula C54H39ClF6N22O7 and a molecular weight of 1257.49 g/mol. Its IUPAC name is 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine.

Molecular Properties

• Compound Name: 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine
• PubChem CID: 160979802
• Molecular Formula: C54H39ClF6N22O7
• Molecular Weight: 1257.49 g/mol
• Exact Mass: 1256.30
• IUPAC Name: 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine
• SMILES: NCc1ccc(F)cn1.O=C1CC(c2cnc3ccc(F)cn23)=NCC1[N+](=O)[O-].O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NCc1ccc(F)cn1.[H]/N=C(\N)c1cnc2ccc(F)cn12
• InChI: InChI=1S/C17H11F2N7O2.C12H9FN4O3.C11H5ClFN5O2.C8H7FN4.C6H7FN2/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;13-7-1-2-12-15-4-9(16(12)6-7)8-3-11(18)10(5-14-8)17(19)20;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;9-5-1-2-7-12-3-6(8(10)11)13(7)4-5;7-5-1-2-6(3-8)9-4-5/h1-5,7-9H,6H2,(H,22,23,24);1-2,4,6,10H,3,5H2;1-5H;1-4H,(H3,10,11);1-2,4H,3,8H2
• InChIKey: SZIZQCFJZTUSNW-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 393.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1257.49
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine?

The IUPAC name of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine (CID 160979802) is 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine.

What is the SMILES notation for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine?

The canonical SMILES for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine is NCc1ccc(F)cn1.O=C1CC(c2cnc3ccc(F)cn23)=NCC1[N+](=O)[O-].O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1NCc1ccc(F)cn1.[H]/N=C(\N)c1cnc2ccc(F)cn12.

What is the InChIKey of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine?

The InChIKey is SZIZQCFJZTUSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N7O2.C12H9FN4O3.C11H5ClFN5O2.C8H7FN4.C6H7FN2/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;13-7-1-2-12-15-4-9(16(12)6-7)8-3-11(18)10(5-14-8)17(19)20;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;9-5-1-2-7-12-3-6(8(10)11)13(7)4-5;7-5-1-2-6(3-8)9-4-5/h1-5,7-9H,6H2,(H,22,23,24);1-2,4,6,10H,3,5H2;1-5H;1-4H,(H3,10,11);1-2,4H,3,8H2.

What are the key properties of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine?

3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine has a molecular weight of 1257.49 g/mol, XLogP of 7.79, 11 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 160979802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).