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

C26H21F4N3O3 — CID 24959458

About 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

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 24959458) has the molecular formula C26H21F4N3O3 and a molecular weight of 499.46 g/mol. Its IUPAC name is 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: 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: 24959458
• Molecular Formula: C26H21F4N3O3
• Molecular Weight: 499.46 g/mol
• Exact Mass: 499.15
• IUPAC Name: 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: OCC(O)Cn1cc(C(O)(c2ccn3c(-c4ccc(F)cc4)ncc3c2)C(F)(F)F)c2ccccc21
• InChI: InChI=1S/C26H21F4N3O3/c27-18-7-5-16(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/h1-12,14,20,34-36H,13,15H2
• InChIKey: NMZBDHLVHSTXFY-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 82.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.46
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 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 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 24959458) is 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 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 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 OCC(O)Cn1cc(C(O)(c2ccn3c(-c4ccc(F)cc4)ncc3c2)C(F)(F)F)c2ccccc21.

What is the InChIKey of 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 NMZBDHLVHSTXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F4N3O3/c27-18-7-5-16(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/h1-12,14,20,34-36H,13,15H2.

What are the key properties of 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?

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 499.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 24959458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).