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

C27H25ClF4N8O2 — CID 161171278

About 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[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-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one (PubChem CID 161171278) has the molecular formula C27H25ClF4N8O2 and a molecular weight of 605.00 g/mol. Its IUPAC name is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[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-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one
• PubChem CID: 161171278
• Molecular Formula: C27H25ClF4N8O2
• Molecular Weight: 605.00 g/mol
• Exact Mass: 604.17
• IUPAC Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[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(CNCC(O)C(F)(F)F)c3n2)nn1
• InChI: InChI=1S/C27H25ClF4N8O2/c28-19-5-6-38-14-34-20(25(38)24(19)29)3-4-22(41)21-13-40(37-36-21)12-18-11-39-10-17(15-1-2-15)7-16(26(39)35-18)8-33-9-23(42)27(30,31)32/h5-7,10-11,13-15,23,33,42H,1-4,8-9,12H2
• InChIKey: PRKIPYQROMNXFY-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 114.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.00
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
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-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[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-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one (CID 161171278) is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[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-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[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-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[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(CNCC(O)C(F)(F)F)c3n2)nn1.

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

The InChIKey is PRKIPYQROMNXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF4N8O2/c28-19-5-6-38-14-34-20(25(38)24(19)29)3-4-22(41)21-13-40(37-36-21)12-18-11-39-10-17(15-1-2-15)7-16(26(39)35-18)8-33-9-23(42)27(30,31)32/h5-7,10-11,13-15,23,33,42H,1-4,8-9,12H2.

What are the key properties of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[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-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one has a molecular weight of 605.00 g/mol, XLogP of 4.12, 11 rotatable bonds, 2 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-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one is sourced from PubChem (CID 161171278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).