[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate

C110H126F20N22O24 — CID 158748945

About [2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate

[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate (PubChem CID 158748945) has the molecular formula C110H126F20N22O24 and a molecular weight of 2520.31 g/mol. Its IUPAC name is [2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate.

Molecular Properties

• Compound Name: [2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate
• PubChem CID: 158748945
• Molecular Formula: C110H126F20N22O24
• Molecular Weight: 2520.31 g/mol
• Exact Mass: 2518.90
• IUPAC Name: [2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate
• SMILES: CC(OC(=O)CO)C(=O)OCC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCC(F)(F)C3)n2)CC1.CC(OC(=O)COC(=O)CO)C(=O)N1CCC(c2cc(N3CCC(F)(F)C3)nc(N(C)c3cc(C(F)(F)F)ccn3)c2)CC1.COCC(=O)OC(C)C(=O)OCC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCC(F)(F)C3)n2)CC1.COCC(=O)OCC(=O)OC(C)C(=O)N1CCC(c2cc(N3CCC(F)(F)C3)nc(N(C)c3cc(C(F)(F)F)ccn3)c2)CC1
• InChI: InChI=1S/C29H34F5N5O6.C28H32F5N5O6.C27H31F5N6O6.C26H29F5N6O6/c1-18(45-26(41)16-44-25(40)15-43-3)27(42)38-9-5-19(6-10-38)20-12-23(36-24(13-20)39-11-7-28(30,31)17-39)37(2)22-14-21(4-8-35-22)29(32,33)34;1-17(44-25(41)15-43-24(40)14-39)26(42)37-8-4-18(5-9-37)19-11-22(35-23(12-19)38-10-6-27(29,30)16-38)36(2)21-13-20(3-7-34-21)28(31,32)33;1-16(44-23(40)14-42-2)24(41)43-13-22(39)37-8-4-17(5-9-37)19-12-21(35-20-11-18(3-7-33-20)27(30,31)32)36-25(34-19)38-10-6-26(28,29)15-38;1-15(43-22(40)12-38)23(41)42-13-21(39)36-7-3-16(4-8-36)18-11-20(34-19-10-17(2-6-32-19)26(29,30)31)35-24(33-18)37-9-5-25(27,28)14-37/h4,8,12-14,18-19H,5-7,9-11,15-17H2,1-3H3;3,7,11-13,17-18,39H,4-6,8-10,14-16H2,1-2H3;3,7,11-12,16-17H,4-6,8-10,13-15H2,1-2H3,(H,33,34,35,36);2,6,10-11,15-16,38H,3-5,7-9,12-14H2,1H3,(H,32,33,34,35)
• InChIKey: INFMYSKZNUTICX-UHFFFAOYSA-N
• XLogP: 13.18
• TPSA: 522.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 38
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2520.31
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate?

The IUPAC name of [2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate (CID 158748945) is [2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate.

What is the SMILES notation for [2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate?

The canonical SMILES for [2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate is CC(OC(=O)CO)C(=O)OCC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCC(F)(F)C3)n2)CC1.CC(OC(=O)COC(=O)CO)C(=O)N1CCC(c2cc(N3CCC(F)(F)C3)nc(N(C)c3cc(C(F)(F)F)ccn3)c2)CC1.COCC(=O)OC(C)C(=O)OCC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCC(F)(F)C3)n2)CC1.COCC(=O)OCC(=O)OC(C)C(=O)N1CCC(c2cc(N3CCC(F)(F)C3)nc(N(C)c3cc(C(F)(F)F)ccn3)c2)CC1.

What is the InChIKey of [2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate?

The InChIKey is INFMYSKZNUTICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F5N5O6.C28H32F5N5O6.C27H31F5N6O6.C26H29F5N6O6/c1-18(45-26(41)16-44-25(40)15-43-3)27(42)38-9-5-19(6-10-38)20-12-23(36-24(13-20)39-11-7-28(30,31)17-39)37(2)22-14-21(4-8-35-22)29(32,33)34;1-17(44-25(41)15-43-24(40)14-39)26(42)37-8-4-18(5-9-37)19-11-22(35-23(12-19)38-10-6-27(29,30)16-38)36(2)21-13-20(3-7-34-21)28(31,32)33;1-16(44-23(40)14-42-2)24(41)43-13-22(39)37-8-4-17(5-9-37)19-12-21(35-20-11-18(3-7-33-20)27(30,31)32)36-25(34-19)38-10-6-26(28,29)15-38;1-15(43-22(40)12-38)23(41)42-13-21(39)36-7-3-16(4-8-36)18-11-20(34-19-10-17(2-6-32-19)26(29,30)31)35-24(33-18)37-9-5-25(27,28)14-37/h4,8,12-14,18-19H,5-7,9-11,15-17H2,1-3H3;3,7,11-13,17-18,39H,4-6,8-10,14-16H2,1-2H3;3,7,11-12,16-17H,4-6,8-10,13-15H2,1-2H3,(H,33,34,35,36);2,6,10-11,15-16,38H,3-5,7-9,12-14H2,1H3,(H,32,33,34,35).

What are the key properties of [2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate?

[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate has a molecular weight of 2520.31 g/mol, XLogP of 13.18, 38 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-hydroxyacetate;[2-[1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-methoxyacetate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-hydroxyacetyl)oxypropanoate;[2-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] 2-(2-methoxyacetyl)oxypropanoate is sourced from PubChem (CID 158748945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).