3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

C113H94F13N15O11 — CID 161026421

About 3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (PubChem CID 161026421) has the molecular formula C113H94F13N15O11 and a molecular weight of 2085.06 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.

Molecular Properties

• Compound Name: 3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
• PubChem CID: 161026421
• Molecular Formula: C113H94F13N15O11
• Molecular Weight: 2085.06 g/mol
• Exact Mass: 2083.70
• IUPAC Name: 3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
• SMILES: CC(=O)c1nc(-c2ccc(F)cc2)n2ccccc12.CC1(c2nc(-c3ccc(F)cc3)n3ccccc23)CO1.COc1cc(C(=O)CCC(O)(c2nc(-c3ccc(F)cc3)n3ccccc23)C(F)(F)F)ccc1OCCO.Fc1ccc(-c2ncc3ccccn23)cc1.NCC(O)(c1nc(-c2ccc(F)cc2)n2ccccc12)C(F)(F)F.NCc1ccccn1.O=C(NCc1ccccn1)c1ccc(F)cc1.O=C(O)c1ccc(F)cc1
• InChI: InChI=1S/C27H24F4N2O5.C16H13F4N3O.C16H13FN2O.C15H11FN2O.C13H11FN2O.C13H9FN2.C7H5FO2.C6H8N2/c1-37-23-16-18(7-10-22(23)38-15-14-34)21(35)11-12-26(36,27(29,30)31)24-20-4-2-3-13-33(20)25(32-24)17-5-8-19(28)9-6-17;17-11-6-4-10(5-7-11)14-22-13(12-3-1-2-8-23(12)14)15(24,9-21)16(18,19)20;1-16(10-20-16)14-13-4-2-3-9-19(13)15(18-14)11-5-7-12(17)8-6-11;1-10(19)14-13-4-2-3-9-18(13)15(17-14)11-5-7-12(16)8-6-11;14-11-6-4-10(5-7-11)13(17)16-9-12-3-1-2-8-15-12;14-11-6-4-10(5-7-11)13-15-9-12-3-1-2-8-16(12)13;8-6-3-1-5(2-4-6)7(9)10;7-5-6-3-1-2-4-8-6/h2-10,13,16,34,36H,11-12,14-15H2,1H3;1-8,24H,9,21H2;2-9H,10H2,1H3;2-9H,1H3;1-8H,9H2,(H,16,17);1-9H;1-4H,(H,9,10);1-4H,5,7H2
• InChIKey: TZAPAGVODQLNSG-UHFFFAOYSA-N
• XLogP: 21.87
• TPSA: 356.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.06
LogP ≤ 5	21.87
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

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-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?

The IUPAC name of 3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (CID 161026421) is 3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-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-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?

The canonical SMILES for 3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is CC(=O)c1nc(-c2ccc(F)cc2)n2ccccc12.CC1(c2nc(-c3ccc(F)cc3)n3ccccc23)CO1.COc1cc(C(=O)CCC(O)(c2nc(-c3ccc(F)cc3)n3ccccc23)C(F)(F)F)ccc1OCCO.Fc1ccc(-c2ncc3ccccn23)cc1.NCC(O)(c1nc(-c2ccc(F)cc2)n2ccccc12)C(F)(F)F.NCc1ccccn1.O=C(NCc1ccccn1)c1ccc(F)cc1.O=C(O)c1ccc(F)cc1.

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

The InChIKey is TZAPAGVODQLNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4N2O5.C16H13F4N3O.C16H13FN2O.C15H11FN2O.C13H11FN2O.C13H9FN2.C7H5FO2.C6H8N2/c1-37-23-16-18(7-10-22(23)38-15-14-34)21(35)11-12-26(36,27(29,30)31)24-20-4-2-3-13-33(20)25(32-24)17-5-8-19(28)9-6-17;17-11-6-4-10(5-7-11)14-22-13(12-3-1-2-8-23(12)14)15(24,9-21)16(18,19)20;1-16(10-20-16)14-13-4-2-3-9-19(13)15(18-14)11-5-7-12(17)8-6-11;1-10(19)14-13-4-2-3-9-18(13)15(17-14)11-5-7-12(16)8-6-11;14-11-6-4-10(5-7-11)13(17)16-9-12-3-1-2-8-15-12;14-11-6-4-10(5-7-11)13-15-9-12-3-1-2-8-16(12)13;8-6-3-1-5(2-4-6)7(9)10;7-5-6-3-1-2-4-8-6/h2-10,13,16,34,36H,11-12,14-15H2,1H3;1-8,24H,9,21H2;2-9H,10H2,1H3;2-9H,1H3;1-8H,9H2,(H,16,17);1-9H;1-4H,(H,9,10);1-4H,5,7H2.

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

3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one has a molecular weight of 2085.06 g/mol, XLogP of 21.87, 23 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 161026421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).