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

C22H20ClFN8O — CID 166801143

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

[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol (PubChem CID 166801143) has the molecular formula C22H20ClFN8O and a molecular weight of 466.90 g/mol. Its IUPAC name is [(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol.

Molecular Properties

• Compound Name: [(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol
• PubChem CID: 166801143
• Molecular Formula: C22H20ClFN8O
• Molecular Weight: 466.90 g/mol
• Exact Mass: 466.14
• IUPAC Name: [(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol
• SMILES: C1CC1C2=CN3C=C(N=C3C=C2)CN4C=C(N=N4)C(NCC5=C6C(=C(C=CN6C=N5)Cl)F)O
• InChI: InChI=1S/C22H20ClFN8O/c23-16-5-6-30-12-26-17(21(30)20(16)24)7-25-22(33)18-11-32(29-28-18)10-15-9-31-8-14(13-1-2-13)3-4-19(31)27-15/h3-6,8-9,11-13,22,25,33H,1-2,7,10H2
• InChIKey: IQMOVSZQUZDKER-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 97.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: 691

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.90
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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

The IUPAC name of [(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol (CID 166801143) is [(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol.

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

The canonical SMILES for [(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol is C1CC1C2=CN3C=C(N=C3C=C2)CN4C=C(N=N4)C(NCC5=C6C(=C(C=CN6C=N5)Cl)F)O.

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

The InChIKey is IQMOVSZQUZDKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN8O/c23-16-5-6-30-12-26-17(21(30)20(16)24)7-25-22(33)18-11-32(29-28-18)10-15-9-31-8-14(13-1-2-13)3-4-19(31)27-15/h3-6,8-9,11-13,22,25,33H,1-2,7,10H2.

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

[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol has a molecular weight of 466.90 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 166801143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).