3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

C90H73Br2F10N13O9 — CID 158382034

About 3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (PubChem CID 158382034) has the molecular formula C90H73Br2F10N13O9 and a molecular weight of 1830.44 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.

Molecular Properties

• Compound Name: 3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
• PubChem CID: 158382034
• Molecular Formula: C90H73Br2F10N13O9
• Molecular Weight: 1830.44 g/mol
• Exact Mass: 1827.39
• IUPAC Name: 3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
• SMILES: Brc1ncn2ccccc12.CC(=O)c1nc(-c2ccc(F)cc2)c2ccccn12.CC(=O)c1nc(Br)c2ccccn12.CC1(c2nc(-c3ccc(F)cc3)c3ccccn23)CO1.COc1cc(C(=O)CCC(O)(c2nc(-c3ccc(F)cc3)c3ccccn23)C(F)(F)F)ccc1OCCO.NCC(O)(c1nc(-c2ccc(F)cc2)c2ccccn12)C(F)(F)F
• InChI: InChI=1S/C27H24F4N2O5.C16H13F4N3O.C16H13FN2O.C15H11FN2O.C9H7BrN2O.C7H5BrN2/c1-37-23-16-18(7-10-22(23)38-15-14-34)21(35)11-12-26(36,27(29,30)31)25-32-24(17-5-8-19(28)9-6-17)20-4-2-3-13-33(20)25;17-11-6-4-10(5-7-11)13-12-3-1-2-8-23(12)14(22-13)15(24,9-21)16(18,19)20;1-16(10-20-16)15-18-14(11-5-7-12(17)8-6-11)13-4-2-3-9-19(13)15;1-10(19)15-17-14(11-5-7-12(16)8-6-11)13-4-2-3-9-18(13)15;1-6(13)9-11-8(10)7-4-2-3-5-12(7)9;8-7-6-3-1-2-4-10(6)5-9-7/h2-10,13,16,34,36H,11-12,14-15H2,1H3;1-8,24H,9,21H2;2-9H,10H2,1H3;2-9H,1H3;2-5H,1H3;1-5H
• InChIKey: GVXKCFLAVKKDDT-UHFFFAOYSA-N
• XLogP: 18.91
• TPSA: 272.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1830.44
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?

The IUPAC name of 3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (CID 158382034) is 3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.

What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?

The canonical SMILES for 3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is Brc1ncn2ccccc12.CC(=O)c1nc(-c2ccc(F)cc2)c2ccccn12.CC(=O)c1nc(Br)c2ccccn12.CC1(c2nc(-c3ccc(F)cc3)c3ccccn23)CO1.COc1cc(C(=O)CCC(O)(c2nc(-c3ccc(F)cc3)c3ccccn23)C(F)(F)F)ccc1OCCO.NCC(O)(c1nc(-c2ccc(F)cc2)c2ccccn12)C(F)(F)F.

What is the InChIKey of 3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?

The InChIKey is GVXKCFLAVKKDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4N2O5.C16H13F4N3O.C16H13FN2O.C15H11FN2O.C9H7BrN2O.C7H5BrN2/c1-37-23-16-18(7-10-22(23)38-15-14-34)21(35)11-12-26(36,27(29,30)31)25-32-24(17-5-8-19(28)9-6-17)20-4-2-3-13-33(20)25;17-11-6-4-10(5-7-11)13-12-3-1-2-8-23(12)14(22-13)15(24,9-21)16(18,19)20;1-16(10-20-16)15-18-14(11-5-7-12(17)8-6-11)13-4-2-3-9-19(13)15;1-10(19)15-17-14(11-5-7-12(16)8-6-11)13-4-2-3-9-18(13)15;1-6(13)9-11-8(10)7-4-2-3-5-12(7)9;8-7-6-3-1-2-4-10(6)5-9-7/h2-10,13,16,34,36H,11-12,14-15H2,1H3;1-8,24H,9,21H2;2-9H,10H2,1H3;2-9H,1H3;2-5H,1H3;1-5H.

What are the key properties of 3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?

3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one has a molecular weight of 1830.44 g/mol, XLogP of 18.91, 18 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-ol;1-bromoimidazo[1,5-a]pyridine;1-(1-bromoimidazo[1,5-a]pyridin-3-yl)ethanone;1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]ethanone;1-(4-fluorophenyl)-3-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;5,5,5-trifluoro-4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 158382034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).