[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol

C25H25ClN12O — CID 153343825

About [(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol

[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol (PubChem CID 153343825) has the molecular formula C25H25ClN12O and a molecular weight of 545.01 g/mol. Its IUPAC name is [(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

• Compound Name: [(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol
• PubChem CID: 153343825
• Molecular Formula: C25H25ClN12O
• Molecular Weight: 545.01 g/mol
• Exact Mass: 544.20
• IUPAC Name: [(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol
• SMILES: OC(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)cc(CCc4nn[nH]n4)c3n2)nn1
• InChI: InChI=1S/C25H25ClN12O/c26-18-5-6-36-14-28-20(22(36)8-18)9-27-25(39)21-13-38(35-30-21)12-19-11-37-10-17(15-1-2-15)7-16(24(37)29-19)3-4-23-31-33-34-32-23/h5-8,10-11,13-15,25,27,39H,1-4,9,12H2,(H,31,32,33,34)
• InChIKey: IQGMZBWKCCILGS-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 152.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.01
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol?

The IUPAC name of [(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol (CID 153343825) is [(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol.

What is the SMILES notation for [(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol?

The canonical SMILES for [(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol is OC(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)cc(CCc4nn[nH]n4)c3n2)nn1.

What is the InChIKey of [(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol?

The InChIKey is IQGMZBWKCCILGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN12O/c26-18-5-6-36-14-28-20(22(36)8-18)9-27-25(39)21-13-38(35-30-21)12-19-11-37-10-17(15-1-2-15)7-16(24(37)29-19)3-4-23-31-33-34-32-23/h5-8,10-11,13-15,25,27,39H,1-4,9,12H2,(H,31,32,33,34).

What are the key properties of [(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol?

[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol has a molecular weight of 545.01 g/mol, XLogP of 2.23, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(7-chloroimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 153343825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).