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

C105H105F6N21O4 — CID 160805762

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

1-(6-amino-3-pyridinyl)-2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 160805762) has the molecular formula C105H105F6N21O4 and a molecular weight of 1839.13 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 1-(6-amino-3-pyridinyl)-2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 160805762
• Molecular Formula: C105H105F6N21O4
• Molecular Weight: 1839.13 g/mol
• Exact Mass: 1837.86
• IUPAC Name: 1-(6-amino-3-pyridinyl)-2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
• SMILES: CN(C)C1CCN(c2nc(-c3cccc(CC(=O)c4ccc(N)nc4)c3)nc3ccn(C)c23)CC1.Cn1ccc2nc(-c3cccc(CC(=O)c4ccc(N)nc4)c3)nc(N3CCCCC3)c21.Cn1ccc2nc(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)nc(N3CCCC3)c21.Cn1ccc2nc(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)nc(N3CCCCC3)c21
• InChI: InChI=1S/C27H25F3N4O.C27H31N7O.C26H23F3N4O.C25H26N6O/c1-33-14-11-22-24(33)26(34-12-3-2-4-13-34)32-25(31-22)20-9-5-7-18(15-20)16-23(35)19-8-6-10-21(17-19)27(28,29)30;1-32(2)21-9-13-34(14-10-21)27-25-22(11-12-33(25)3)30-26(31-27)19-6-4-5-18(15-19)16-23(35)20-7-8-24(28)29-17-20;1-32-13-10-21-23(32)25(33-11-2-3-12-33)31-24(30-21)19-8-4-6-17(14-19)15-22(34)18-7-5-9-20(16-18)26(27,28)29;1-30-13-10-20-23(30)25(31-11-3-2-4-12-31)29-24(28-20)18-7-5-6-17(14-18)15-21(32)19-8-9-22(26)27-16-19/h5-11,14-15,17H,2-4,12-13,16H2,1H3;4-8,11-12,15,17,21H,9-10,13-14,16H2,1-3H3,(H2,28,29);4-10,13-14,16H,2-3,11-12,15H2,1H3;5-10,13-14,16H,2-4,11-12,15H2,1H3,(H2,26,27)
• InChIKey: SDQXZNWXJPJNFH-UHFFFAOYSA-N
• XLogP: 19.35
• TPSA: 285.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1839.13
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 1-(6-amino-3-pyridinyl)-2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (CID 160805762) is 1-(6-amino-3-pyridinyl)-2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.

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

The canonical SMILES for 1-(6-amino-3-pyridinyl)-2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is CN(C)C1CCN(c2nc(-c3cccc(CC(=O)c4ccc(N)nc4)c3)nc3ccn(C)c23)CC1.Cn1ccc2nc(-c3cccc(CC(=O)c4ccc(N)nc4)c3)nc(N3CCCCC3)c21.Cn1ccc2nc(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)nc(N3CCCC3)c21.Cn1ccc2nc(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)nc(N3CCCCC3)c21.

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

The InChIKey is SDQXZNWXJPJNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O.C27H31N7O.C26H23F3N4O.C25H26N6O/c1-33-14-11-22-24(33)26(34-12-3-2-4-13-34)32-25(31-22)20-9-5-7-18(15-20)16-23(35)19-8-6-10-21(17-19)27(28,29)30;1-32(2)21-9-13-34(14-10-21)27-25-22(11-12-33(25)3)30-26(31-27)19-6-4-5-18(15-19)16-23(35)20-7-8-24(28)29-17-20;1-32-13-10-21-23(32)25(33-11-2-3-12-33)31-24(30-21)19-8-4-6-17(14-19)15-22(34)18-7-5-9-20(16-18)26(27,28)29;1-30-13-10-20-23(30)25(31-11-3-2-4-12-31)29-24(28-20)18-7-5-6-17(14-18)15-21(32)19-8-9-22(26)27-16-19/h5-11,14-15,17H,2-4,12-13,16H2,1H3;4-8,11-12,15,17,21H,9-10,13-14,16H2,1-3H3,(H2,28,29);4-10,13-14,16H,2-3,11-12,15H2,1H3;5-10,13-14,16H,2-4,11-12,15H2,1H3,(H2,26,27).

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

1-(6-amino-3-pyridinyl)-2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 1839.13 g/mol, XLogP of 19.35, 21 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-amino-3-pyridinyl)-2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 160805762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).