[2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C25H20FN8O+ — CID 58824561

About [2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824561) has the molecular formula C25H20FN8O+ and a molecular weight of 467.49 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

• Compound Name: [2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• PubChem CID: 58824561
• Molecular Formula: C25H20FN8O+
• Molecular Weight: 467.49 g/mol
• Exact Mass: 467.17
• IUPAC Name: [2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• SMILES: OCc1ccn2c(-c3ccnc(NCc4c[n+]5cccnc5[nH]4)n3)c(-c3ccc(F)cc3)nc2c1
• InChI: InChI=1S/C25H19FN8O/c26-18-4-2-17(3-5-18)22-23(34-11-7-16(15-35)12-21(34)32-22)20-6-9-27-24(31-20)29-13-19-14-33-10-1-8-28-25(33)30-19/h1-12,14,35H,13,15H2,(H,27,29,31)/p+1
• InChIKey: AWVDCTZGWVCHCF-UHFFFAOYSA-O
• XLogP: 3.16
• TPSA: 108.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.49
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The IUPAC name of [2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824561) is [2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The canonical SMILES for [2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is OCc1ccn2c(-c3ccnc(NCc4c[n+]5cccnc5[nH]4)n3)c(-c3ccc(F)cc3)nc2c1.

What is the InChIKey of [2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The InChIKey is AWVDCTZGWVCHCF-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H19FN8O/c26-18-4-2-17(3-5-18)22-23(34-11-7-16(15-35)12-21(34)32-22)20-6-9-27-24(31-20)29-13-19-14-33-10-1-8-28-25(33)30-19/h1-12,14,35H,13,15H2,(H,27,29,31)/p+1.

What are the key properties of [2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

[2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 467.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).