4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone

C140H157Cl3F8N12O27 — CID 157288933

About 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone

4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone (PubChem CID 157288933) has the molecular formula C140H157Cl3F8N12O27 and a molecular weight of 2698.20 g/mol. Its IUPAC name is 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone.

Molecular Properties

• Compound Name: 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone
• PubChem CID: 157288933
• Molecular Formula: C140H157Cl3F8N12O27
• Molecular Weight: 2698.20 g/mol
• Exact Mass: 2695.02
• IUPAC Name: 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone
• SMILES: COc1c(C(C)(C)NCC(=O)c2ccccc2)cc(C(O)(CN)C(F)(F)F)nc1Cl.COc1c(C(C)(C)NCC(=O)c2ccccc2)cc(C(O)(C[N+](=O)[O-])C(F)(F)F)nc1Cl.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)c(OC)c(-c3ccc(F)cc3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(=O)OCc3ccccc3)c(OC)c(-c3ccc(F)cc3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(=O)OCc3ccccc3)c(OC)c(Cl)n2)ccc1OC1CC1
• InChI: InChI=1S/C38H41FN2O7.C32H37ClN2O7.C30H35FN2O5.C20H21ClF3N3O5.C20H23ClF3N3O3/c1-37(2,41-36(43)47-23-24-9-7-6-8-10-24)29-22-33(40-34(35(29)46-5)25-11-14-27(39)15-12-25)38(3,44)20-19-30(42)26-13-18-31(32(21-26)45-4)48-28-16-17-28;1-31(2,35-30(37)41-19-20-9-7-6-8-10-20)23-18-27(34-29(33)28(23)40-5)32(3,38)16-15-24(36)21-11-14-25(26(17-21)39-4)42-22-12-13-22;1-29(2,32)22-17-26(33-27(28(22)37-5)18-6-9-20(31)10-7-18)30(3,35)15-14-23(34)19-8-13-24(25(16-19)36-4)38-21-11-12-21;1-18(2,25-10-14(28)12-7-5-4-6-8-12)13-9-15(26-17(21)16(13)32-3)19(29,11-27(30)31)20(22,23)24;1-18(2,26-10-14(28)12-7-5-4-6-8-12)13-9-15(27-17(21)16(13)30-3)19(29,11-25)20(22,23)24/h6-15,18,21-22,28,44H,16-17,19-20,23H2,1-5H3,(H,41,43);6-11,14,17-18,22,38H,12-13,15-16,19H2,1-5H3,(H,35,37);6-10,13,16-17,21,35H,11-12,14-15,32H2,1-5H3;4-9,25,29H,10-11H2,1-3H3;4-9,26,29H,10-11,25H2,1-3H3
• InChIKey: BAOKTVLXVINRPK-UHFFFAOYSA-N
• XLogP: 25.95
• TPSA: 548.38 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 55
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2698.20
LogP ≤ 5	25.95
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone?

The IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone (CID 157288933) is 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone.

What is the SMILES notation for 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone?

The canonical SMILES for 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone is COc1c(C(C)(C)NCC(=O)c2ccccc2)cc(C(O)(CN)C(F)(F)F)nc1Cl.COc1c(C(C)(C)NCC(=O)c2ccccc2)cc(C(O)(C[N+](=O)[O-])C(F)(F)F)nc1Cl.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)c(OC)c(-c3ccc(F)cc3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(=O)OCc3ccccc3)c(OC)c(-c3ccc(F)cc3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(=O)OCc3ccccc3)c(OC)c(Cl)n2)ccc1OC1CC1.

What is the InChIKey of 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone?

The InChIKey is BAOKTVLXVINRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41FN2O7.C32H37ClN2O7.C30H35FN2O5.C20H21ClF3N3O5.C20H23ClF3N3O3/c1-37(2,41-36(43)47-23-24-9-7-6-8-10-24)29-22-33(40-34(35(29)46-5)25-11-14-27(39)15-12-25)38(3,44)20-19-30(42)26-13-18-31(32(21-26)45-4)48-28-16-17-28;1-31(2,35-30(37)41-19-20-9-7-6-8-10-20)23-18-27(34-29(33)28(23)40-5)32(3,38)16-15-24(36)21-11-14-25(26(17-21)39-4)42-22-12-13-22;1-29(2,32)22-17-26(33-27(28(22)37-5)18-6-9-20(31)10-7-18)30(3,35)15-14-23(34)19-8-13-24(25(16-19)36-4)38-21-11-12-21;1-18(2,25-10-14(28)12-7-5-4-6-8-12)13-9-15(26-17(21)16(13)32-3)19(29,11-27(30)31)20(22,23)24;1-18(2,26-10-14(28)12-7-5-4-6-8-12)13-9-15(27-17(21)16(13)30-3)19(29,11-25)20(22,23)24/h6-15,18,21-22,28,44H,16-17,19-20,23H2,1-5H3,(H,41,43);6-11,14,17-18,22,38H,12-13,15-16,19H2,1-5H3,(H,35,37);6-10,13,16-17,21,35H,11-12,14-15,32H2,1-5H3;4-9,25,29H,10-11H2,1-3H3;4-9,26,29H,10-11,25H2,1-3H3.

What are the key properties of 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone?

4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone has a molecular weight of 2698.20 g/mol, XLogP of 25.95, 55 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone is sourced from PubChem (CID 157288933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).