3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one

C27H26ClFN8O2 — CID 157224689

About 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one (PubChem CID 157224689) has the molecular formula C27H26ClFN8O2 and a molecular weight of 549.01 g/mol. Its IUPAC name is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one
• PubChem CID: 157224689
• Molecular Formula: C27H26ClFN8O2
• Molecular Weight: 549.01 g/mol
• Exact Mass: 548.19
• IUPAC Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one
• SMILES: O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1
• InChI: InChI=1S/C27H26ClFN8O2/c28-20-5-6-35-16-30-21(26(35)25(20)29)3-4-24(38)22-15-37(33-32-22)14-19-13-36-12-18(17-1-2-17)11-23(27(36)31-19)34-7-9-39-10-8-34/h5-6,11-13,15-17H,1-4,7-10,14H2
• InChIKey: RRJRDUBXMCQQKC-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 94.85 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.01
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one (CID 157224689) is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one.

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

The canonical SMILES for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one is O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1.

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

The InChIKey is RRJRDUBXMCQQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN8O2/c28-20-5-6-35-16-30-21(26(35)25(20)29)3-4-24(38)22-15-37(33-32-22)14-19-13-36-12-18(17-1-2-17)11-23(27(36)31-19)34-7-9-39-10-8-34/h5-6,11-13,15-17H,1-4,7-10,14H2.

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

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one has a molecular weight of 549.01 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one is sourced from PubChem (CID 157224689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).