3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one

C23H19BrFN7O — CID 157478393

About 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one

3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one (PubChem CID 157478393) has the molecular formula C23H19BrFN7O and a molecular weight of 508.36 g/mol. Its IUPAC name is 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one
• PubChem CID: 157478393
• Molecular Formula: C23H19BrFN7O
• Molecular Weight: 508.36 g/mol
• Exact Mass: 507.08
• IUPAC Name: 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one
• SMILES: O=C(CCc1ncn2ccc(Br)c(F)c12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
• InChI: InChI=1S/C23H19BrFN7O/c24-17-7-8-30-13-26-18(23(30)22(17)25)4-5-20(33)19-12-32(29-28-19)11-16-10-31-9-15(14-1-2-14)3-6-21(31)27-16/h3,6-10,12-14H,1-2,4-5,11H2
• InChIKey: OGTZXEKWIHTSIG-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 82.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.36
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one?

The IUPAC name of 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one (CID 157478393) is 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one.

What is the SMILES notation for 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one?

The canonical SMILES for 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one is O=C(CCc1ncn2ccc(Br)c(F)c12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.

What is the InChIKey of 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one?

The InChIKey is OGTZXEKWIHTSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN7O/c24-17-7-8-30-13-26-18(23(30)22(17)25)4-5-20(33)19-12-32(29-28-19)11-16-10-31-9-15(14-1-2-14)3-6-21(31)27-16/h3,6-10,12-14H,1-2,4-5,11H2.

What are the key properties of 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one?

3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one has a molecular weight of 508.36 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one is sourced from PubChem (CID 157478393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).