[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol

C₂₃H₂₃FN₈O — CID 156892507

About [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol

[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol (PubChem CID 156892507) has the molecular formula C₂₃H₂₃FN₈O and a molecular weight of 446.49 g/mol. Its IUPAC name is [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol.

Molecular Properties

• Compound Name: [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol
• PubChem CID: 156892507
• Molecular Formula: C₂₃H₂₃FN₈O
• Molecular Weight: 446.49 g/mol
• Exact Mass: 446.20
• IUPAC Name: [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol
• SMILES: Cc1ccn2cnc(CNC(O)c3cn(Cc4cn5cc(C6CC6)ccc5n4)nn3)c2c1F
• InChI: InChI=1S/C23H23FN8O/c1-14-6-7-30-13-26-18(22(30)21(14)24)8-25-23(33)19-12-32(29-28-19)11-17-10-31-9-16(15-2-3-15)4-5-20(31)27-17/h4-7,9-10,12-13,15,23,25,33H,2-3,8,11H2,1H3
• InChIKey: PVPNPPUCKHZLCX-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 97.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.49
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol?

The IUPAC name of [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol (CID 156892507) is [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol.

What is the SMILES notation for [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol?

The canonical SMILES for [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol is Cc1ccn2cnc(CNC(O)c3cn(Cc4cn5cc(C6CC6)ccc5n4)nn3)c2c1F.

What is the InChIKey of [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol?

The InChIKey is PVPNPPUCKHZLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O/c1-14-6-7-30-13-26-18(22(30)21(14)24)8-25-23(33)19-12-32(29-28-19)11-17-10-31-9-16(15-2-3-15)4-5-20(31)27-17/h4-7,9-10,12-13,15,23,25,33H,2-3,8,11H2,1H3.

What are the key properties of [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol?

[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol has a molecular weight of 446.49 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol is sourced from PubChem (CID 156892507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156892507 — identifiers, structure, computed properties (public domain)

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