1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one

C110H111F9N20O6 — CID 161474345

About 1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one

1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 161474345) has the molecular formula C110H111F9N20O6 and a molecular weight of 1980.21 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

• Compound Name: 1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
• PubChem CID: 161474345
• Molecular Formula: C110H111F9N20O6
• Molecular Weight: 1980.21 g/mol
• Exact Mass: 1978.89
• IUPAC Name: 1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
• SMILES: CN(C)C1CCN(c2nc(-c3cccc(CC(=O)Cc4cccc(C(F)(F)F)c4)c3)nc3ccn(C)c23)CC1.CN(C)C1CCN(c2nc(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)nc3ccn(C)c23)CC1.Cn1ccc2nc(-c3cccc(CC(=O)Cc4ccc(C(F)(F)F)cc4)c3)nc(N3CCOCC3)c21.Cn1ccc2nc(-c3cccc(CC(=O)c4ccc(N)nc4)c3)nc(N3CCOCC3)c21
• InChI: InChI=1S/C30H32F3N5O.C29H30F3N5O.C27H25F3N4O2.C24H24N6O2/c1-36(2)24-10-14-38(15-11-24)29-27-26(12-13-37(27)3)34-28(35-29)22-8-4-6-20(16-22)18-25(39)19-21-7-5-9-23(17-21)30(31,32)33;1-35(2)23-10-14-37(15-11-23)28-26-24(12-13-36(26)3)33-27(34-28)21-8-4-6-19(16-21)17-25(38)20-7-5-9-22(18-20)29(30,31)32;1-33-10-9-23-24(33)26(34-11-13-36-14-12-34)32-25(31-23)20-4-2-3-19(15-20)17-22(35)16-18-5-7-21(8-6-18)27(28,29)30;1-29-8-7-19-22(29)24(30-9-11-32-12-10-30)28-23(27-19)17-4-2-3-16(13-17)14-20(31)18-5-6-21(25)26-15-18/h4-9,12-13,16-17,24H,10-11,14-15,18-19H2,1-3H3;4-9,12-13,16,18,23H,10-11,14-15,17H2,1-3H3;2-10,15H,11-14,16-17H2,1H3;2-8,13,15H,9-12,14H2,1H3,(H2,25,26)
• InChIKey: WDMZRRNTWLEKKJ-UHFFFAOYSA-N
• XLogP: 18.87
• TPSA: 267.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1980.21
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one?

The IUPAC name of 1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one (CID 161474345) is 1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one.

What is the SMILES notation for 1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one?

The canonical SMILES for 1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one is CN(C)C1CCN(c2nc(-c3cccc(CC(=O)Cc4cccc(C(F)(F)F)c4)c3)nc3ccn(C)c23)CC1.CN(C)C1CCN(c2nc(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)nc3ccn(C)c23)CC1.Cn1ccc2nc(-c3cccc(CC(=O)Cc4ccc(C(F)(F)F)cc4)c3)nc(N3CCOCC3)c21.Cn1ccc2nc(-c3cccc(CC(=O)c4ccc(N)nc4)c3)nc(N3CCOCC3)c21.

What is the InChIKey of 1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one?

The InChIKey is WDMZRRNTWLEKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N5O.C29H30F3N5O.C27H25F3N4O2.C24H24N6O2/c1-36(2)24-10-14-38(15-11-24)29-27-26(12-13-37(27)3)34-28(35-29)22-8-4-6-20(16-22)18-25(39)19-21-7-5-9-23(17-21)30(31,32)33;1-35(2)23-10-14-37(15-11-23)28-26-24(12-13-36(26)3)33-27(34-28)21-8-4-6-19(16-21)17-25(38)20-7-5-9-22(18-20)29(30,31)32;1-33-10-9-23-24(33)26(34-11-13-36-14-12-34)32-25(31-23)20-4-2-3-19(15-20)17-22(35)16-18-5-7-21(8-6-18)27(28,29)30;1-29-8-7-19-22(29)24(30-9-11-32-12-10-30)28-23(27-19)17-4-2-3-16(13-17)14-20(31)18-5-6-21(25)26-15-18/h4-9,12-13,16-17,24H,10-11,14-15,18-19H2,1-3H3;4-9,12-13,16,18,23H,10-11,14-15,17H2,1-3H3;2-10,15H,11-14,16-17H2,1H3;2-8,13,15H,9-12,14H2,1H3,(H2,25,26).

What are the key properties of 1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one?

1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 1980.21 g/mol, XLogP of 18.87, 24 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 161474345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).