1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol

C55H46F8N6O6 — CID 159422257

About 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol

1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol (PubChem CID 159422257) has the molecular formula C55H46F8N6O6 and a molecular weight of 1038.99 g/mol. Its IUPAC name is 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol.

Molecular Properties

• Compound Name: 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol
• PubChem CID: 159422257
• Molecular Formula: C55H46F8N6O6
• Molecular Weight: 1038.99 g/mol
• Exact Mass: 1038.34
• IUPAC Name: 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol
• SMILES: CC1(C)OCC(Cn2cc(C(O)(c3ccn4c(-c5ccc(F)cc5)ncc4c3)C(F)(F)F)c3ccccc32)O1.OCC(O)Cn1cc(C(O)(c2ccn3c(-c4ccc(F)cc4)ncc3c2)C(F)(F)F)c2ccccc21
• InChI: InChI=1S/C29H25F4N3O3.C26H21F4N3O3/c1-27(2)38-17-22(39-27)15-35-16-24(23-5-3-4-6-25(23)35)28(37,29(31,32)33)19-11-12-36-21(13-19)14-34-26(36)18-7-9-20(30)10-8-18;27-18-7-5-16(6-8-18)24-31-12-19-11-17(9-10-33(19)24)25(36,26(28,29)30)22-14-32(13-20(35)15-34)23-4-2-1-3-21(22)23/h3-14,16,22,37H,15,17H2,1-2H3;1-12,14,20,34-36H,13,15H2
• InChIKey: LPXIESHUIBOFNS-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 143.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1038.99
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol?

The IUPAC name of 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol (CID 159422257) is 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol.

What is the SMILES notation for 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol?

The canonical SMILES for 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol is CC1(C)OCC(Cn2cc(C(O)(c3ccn4c(-c5ccc(F)cc5)ncc4c3)C(F)(F)F)c3ccccc32)O1.OCC(O)Cn1cc(C(O)(c2ccn3c(-c4ccc(F)cc4)ncc3c2)C(F)(F)F)c2ccccc21.

What is the InChIKey of 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol?

The InChIKey is LPXIESHUIBOFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F4N3O3.C26H21F4N3O3/c1-27(2)38-17-22(39-27)15-35-16-24(23-5-3-4-6-25(23)35)28(37,29(31,32)33)19-11-12-36-21(13-19)14-34-26(36)18-7-9-20(30)10-8-18;27-18-7-5-16(6-8-18)24-31-12-19-11-17(9-10-33(19)24)25(36,26(28,29)30)22-14-32(13-20(35)15-34)23-4-2-1-3-21(22)23/h3-14,16,22,37H,15,17H2,1-2H3;1-12,14,20,34-36H,13,15H2.

What are the key properties of 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol?

1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol has a molecular weight of 1038.99 g/mol, XLogP of 10.29, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol is sourced from PubChem (CID 159422257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).