4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one

C133H158F5N11O25 — CID 158595499

About 4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one

4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one (PubChem CID 158595499) has the molecular formula C133H158F5N11O25 and a molecular weight of 2405.77 g/mol. Its IUPAC name is 4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one.

Molecular Properties

• Compound Name: 4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one
• PubChem CID: 158595499
• Molecular Formula: C133H158F5N11O25
• Molecular Weight: 2405.77 g/mol
• Exact Mass: 2404.14
• IUPAC Name: 4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one
• SMILES: CC(C)(C)OC(=O)NCCOc1ccc(C(C)(O)CN)nc1-c1ccc(F)cc1.CC(C)(C)OC(=O)NCCOc1ccc(C2(C)CO2)nc1-c1ccc(F)cc1.COc1cc(C(=O)CCC(C)(O)c2ccc(OCCN(C)C)c(-c3ccc(F)cc3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2ccc(OCCN)c(-c3ccc(F)cc3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2ccc(OCCNC(=O)OC(C)(C)C)c(-c3ccc(F)cc3)n2)ccc1OC1CC1
• InChI: InChI=1S/C33H39FN2O7.C30H35FN2O5.C28H31FN2O5.C21H28FN3O4.C21H25FN2O4/c1-32(2,3)43-31(38)35-18-19-41-27-14-15-29(36-30(27)21-6-9-23(34)10-7-21)33(4,39)17-16-25(37)22-8-13-26(28(20-22)40-5)42-24-11-12-24;1-30(35,16-15-24(34)21-7-12-25(27(19-21)36-4)38-23-10-11-23)28-14-13-26(37-18-17-33(2)3)29(32-28)20-5-8-22(31)9-6-20;1-28(33,14-13-22(32)19-5-10-23(25(17-19)34-2)36-21-8-9-21)26-12-11-24(35-16-15-30)27(31-26)18-3-6-20(29)7-4-18;1-20(2,3)29-19(26)24-11-12-28-16-9-10-17(21(4,27)13-23)25-18(16)14-5-7-15(22)8-6-14;1-20(2,3)28-19(25)23-11-12-26-16-9-10-17(21(4)13-27-21)24-18(16)14-5-7-15(22)8-6-14/h6-10,13-15,20,24,39H,11-12,16-19H2,1-5H3,(H,35,38);5-9,12-14,19,23,35H,10-11,15-18H2,1-4H3;3-7,10-12,17,21,33H,8-9,13-16,30H2,1-2H3;5-10,27H,11-13,23H2,1-4H3,(H,24,26);5-10H,11-13H2,1-4H3,(H,23,25)
• InChIKey: HUYZZNCPJKTZBQ-UHFFFAOYSA-N
• XLogP: 23.10
• TPSA: 480.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 51
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2405.77
LogP ≤ 5	23.10
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one?

The IUPAC name of 4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one (CID 158595499) is 4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one.

What is the SMILES notation for 4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one?

The canonical SMILES for 4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one is CC(C)(C)OC(=O)NCCOc1ccc(C(C)(O)CN)nc1-c1ccc(F)cc1.CC(C)(C)OC(=O)NCCOc1ccc(C2(C)CO2)nc1-c1ccc(F)cc1.COc1cc(C(=O)CCC(C)(O)c2ccc(OCCN(C)C)c(-c3ccc(F)cc3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2ccc(OCCN)c(-c3ccc(F)cc3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2ccc(OCCNC(=O)OC(C)(C)C)c(-c3ccc(F)cc3)n2)ccc1OC1CC1.

What is the InChIKey of 4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one?

The InChIKey is HUYZZNCPJKTZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39FN2O7.C30H35FN2O5.C28H31FN2O5.C21H28FN3O4.C21H25FN2O4/c1-32(2,3)43-31(38)35-18-19-41-27-14-15-29(36-30(27)21-6-9-23(34)10-7-21)33(4,39)17-16-25(37)22-8-13-26(28(20-22)40-5)42-24-11-12-24;1-30(35,16-15-24(34)21-7-12-25(27(19-21)36-4)38-23-10-11-23)28-14-13-26(37-18-17-33(2)3)29(32-28)20-5-8-22(31)9-6-20;1-28(33,14-13-22(32)19-5-10-23(25(17-19)34-2)36-21-8-9-21)26-12-11-24(35-16-15-30)27(31-26)18-3-6-20(29)7-4-18;1-20(2,3)29-19(26)24-11-12-28-16-9-10-17(21(4,27)13-23)25-18(16)14-5-7-15(22)8-6-14;1-20(2,3)28-19(25)23-11-12-26-16-9-10-17(21(4)13-27-21)24-18(16)14-5-7-15(22)8-6-14/h6-10,13-15,20,24,39H,11-12,16-19H2,1-5H3,(H,35,38);5-9,12-14,19,23,35H,10-11,15-18H2,1-4H3;3-7,10-12,17,21,33H,8-9,13-16,30H2,1-2H3;5-10,27H,11-13,23H2,1-4H3,(H,24,26);5-10H,11-13H2,1-4H3,(H,23,25).

What are the key properties of 4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one?

4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one has a molecular weight of 2405.77 g/mol, XLogP of 23.10, 51 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(2-aminoethoxy)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;tert-butyl N-[2-[[6-(1-amino-2-hydroxypropan-2-yl)-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[2-[[2-(4-fluorophenyl)-6-(2-methyloxiran-2-yl)-3-pyridinyl]oxy]ethyl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[5-[2-(dimethylamino)ethoxy]-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentan-1-one is sourced from PubChem (CID 158595499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).