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

C27H23ClFN7O3 — CID 159266170

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

3-[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxolan-2-one (PubChem CID 159266170) has the molecular formula C27H23ClFN7O3 and a molecular weight of 547.98 g/mol. Its IUPAC name is 3-[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxolan-2-one.

Molecular Properties

• Compound Name: 3-[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxolan-2-one
• PubChem CID: 159266170
• Molecular Formula: C27H23ClFN7O3
• Molecular Weight: 547.98 g/mol
• Exact Mass: 547.15
• IUPAC Name: 3-[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxolan-2-one
• SMILES: O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(C4CCOC4=O)c3n2)nn1
• InChI: InChI=1S/C27H23ClFN7O3/c28-20-5-7-34-14-30-21(25(34)24(20)29)3-4-23(37)22-13-36(33-32-22)12-17-11-35-10-16(15-1-2-15)9-19(26(35)31-17)18-6-8-39-27(18)38/h5,7,9-11,13-15,18H,1-4,6,8,12H2
• InChIKey: QLNQFIYIYMGLJT-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 108.68 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.98
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxolan-2-one (CID 159266170) is 3-[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxolan-2-one.

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

The canonical SMILES for 3-[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxolan-2-one is O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(C4CCOC4=O)c3n2)nn1.

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

The InChIKey is QLNQFIYIYMGLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN7O3/c28-20-5-7-34-14-30-21(25(34)24(20)29)3-4-23(37)22-13-36(33-32-22)12-17-11-35-10-16(15-1-2-15)9-19(26(35)31-17)18-6-8-39-27(18)38/h5,7,9-11,13-15,18H,1-4,6,8,12H2.

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

3-[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxolan-2-one has a molecular weight of 547.98 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxolan-2-one is sourced from PubChem (CID 159266170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).