4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one

C150H150Cl2F3N25O8 — CID 165060717

About 4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one

4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one (PubChem CID 165060717) has the molecular formula C150H150Cl2F3N25O8 and a molecular weight of 2558.92 g/mol. Its IUPAC name is 4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one.

Molecular Properties

• Compound Name: 4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one
• PubChem CID: 165060717
• Molecular Formula: C150H150Cl2F3N25O8
• Molecular Weight: 2558.92 g/mol
• Exact Mass: 2556.14
• IUPAC Name: 4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one
• SMILES: Cc1cc(C)nc(Cc2ncc(C(=O)CCC(=O)c3c(C)[nH]c4ccccc34)cn2)c1.Cc1cc(C)nc(Cc2ncc(C(=O)CCC(O)c3c(C)[nH]c4ccccc34)cn2)c1.Cc1cc(C)nc(Cc2ncc(C(=O)CCCc3c(C(F)(F)F)[nH]c4ccccc34)cn2)c1.Cc1cc(C)nc(Cc2ncc(C(=O)CCCc3c(C)[nH]c4c(Cl)cc(Cl)cc34)cn2)c1.Cc1cc(C)nc(Cc2ncc(C(=O)CCCc3c(C)[nH]c4ccc(C)cc34)cn2)c1.Cc1cc(C)nc(Cc2ncc(C(=O)CCCc3c(C)nn4ccccc34)cn2)c1
• InChI: InChI=1S/C26H28N4O.C25H24Cl2N4O.C25H23F3N4O.C25H26N4O2.C25H24N4O2.C24H25N5O/c1-16-8-9-24-23(12-16)22(19(4)30-24)6-5-7-25(31)20-14-27-26(28-15-20)13-21-11-17(2)10-18(3)29-21;1-14-7-15(2)30-19(8-14)11-24-28-12-17(13-29-24)23(32)6-4-5-20-16(3)31-25-21(20)9-18(26)10-22(25)27;1-15-10-16(2)31-18(11-15)12-23-29-13-17(14-30-23)22(33)9-5-7-20-19-6-3-4-8-21(19)32-24(20)25(26,27)28;2*1-15-10-16(2)28-19(11-15)12-24-26-13-18(14-27-24)22(30)8-9-23(31)25-17(3)29-21-7-5-4-6-20(21)25;1-16-11-17(2)27-20(12-16)13-24-25-14-19(15-26-24)23(30)9-6-7-21-18(3)28-29-10-5-4-8-22(21)29/h8-12,14-15,30H,5-7,13H2,1-4H3;7-10,12-13,31H,4-6,11H2,1-3H3;3-4,6,8,10-11,13-14,32H,5,7,9,12H2,1-2H3;4-7,10-11,13-14,23,29,31H,8-9,12H2,1-3H3;4-7,10-11,13-14,29H,8-9,12H2,1-3H3;4-5,8,10-12,14-15H,6-7,9,13H2,1-3H3
• InChIKey: RDPYIMUYPXBCOY-UHFFFAOYSA-N
• XLogP: 31.07
• TPSA: 467.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 42
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2558.92
LogP ≤ 5	31.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one?

The IUPAC name of 4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one (CID 165060717) is 4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one.

What is the SMILES notation for 4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one?

The canonical SMILES for 4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one is Cc1cc(C)nc(Cc2ncc(C(=O)CCC(=O)c3c(C)[nH]c4ccccc34)cn2)c1.Cc1cc(C)nc(Cc2ncc(C(=O)CCC(O)c3c(C)[nH]c4ccccc34)cn2)c1.Cc1cc(C)nc(Cc2ncc(C(=O)CCCc3c(C(F)(F)F)[nH]c4ccccc34)cn2)c1.Cc1cc(C)nc(Cc2ncc(C(=O)CCCc3c(C)[nH]c4c(Cl)cc(Cl)cc34)cn2)c1.Cc1cc(C)nc(Cc2ncc(C(=O)CCCc3c(C)[nH]c4ccc(C)cc34)cn2)c1.Cc1cc(C)nc(Cc2ncc(C(=O)CCCc3c(C)nn4ccccc34)cn2)c1.

What is the InChIKey of 4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one?

The InChIKey is RDPYIMUYPXBCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O.C25H24Cl2N4O.C25H23F3N4O.C25H26N4O2.C25H24N4O2.C24H25N5O/c1-16-8-9-24-23(12-16)22(19(4)30-24)6-5-7-25(31)20-14-27-26(28-15-20)13-21-11-17(2)10-18(3)29-21;1-14-7-15(2)30-19(8-14)11-24-28-12-17(13-29-24)23(32)6-4-5-20-16(3)31-25-21(20)9-18(26)10-22(25)27;1-15-10-16(2)31-18(11-15)12-23-29-13-17(14-30-23)22(33)9-5-7-20-19-6-3-4-8-21(19)32-24(20)25(26,27)28;2*1-15-10-16(2)28-19(11-15)12-24-26-13-18(14-27-24)22(30)8-9-23(31)25-17(3)29-21-7-5-4-6-20(21)25;1-16-11-17(2)27-20(12-16)13-24-25-14-19(15-26-24)23(30)9-6-7-21-18(3)28-29-10-5-4-8-22(21)29/h8-12,14-15,30H,5-7,13H2,1-4H3;7-10,12-13,31H,4-6,11H2,1-3H3;3-4,6,8,10-11,13-14,32H,5,7,9,12H2,1-2H3;4-7,10-11,13-14,23,29,31H,8-9,12H2,1-3H3;4-7,10-11,13-14,29H,8-9,12H2,1-3H3;4-5,8,10-12,14-15H,6-7,9,13H2,1-3H3.

What are the key properties of 4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one?

4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one has a molecular weight of 2558.92 g/mol, XLogP of 31.07, 42 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5,7-dichloro-2-methyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;4-(2,5-dimethyl-1H-indol-3-yl)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methyl-1H-indol-3-yl)butane-1,4-dione;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one;1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]pyrimidin-5-yl]-4-[2-(trifluoromethyl)-1H-indol-3-yl]butan-1-one is sourced from PubChem (CID 165060717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).