2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile

C162H183N37O8 — CID 167597777

About 2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile

2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile (PubChem CID 167597777) has the molecular formula C162H183N37O8 and a molecular weight of 2776.50 g/mol. Its IUPAC name is 2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile.

Molecular Properties

• Compound Name: 2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
• PubChem CID: 167597777
• Molecular Formula: C162H183N37O8
• Molecular Weight: 2776.50 g/mol
• Exact Mass: 2774.51
• IUPAC Name: 2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
• SMILES: C=CC(=O)N1CCN(c2nc(N3CC(N(C)C)C3)nc3c2CN([C@@H]2Cc4cccc5cccc2c45)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2nc(N3CC(N(C)C)C3)nc3c2CN([C@H]2Cc4cccc5cccc2c45)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2nc(OC3CCN(C)CC3)nc3c2CN(Cc2cccc4ccccc24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2nc(OC3CCN(C)CC3)nc3c2CN([C@@H]2Cc4cccc5cccc2c45)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2nc(OC3CCN(C)CC3)nc3c2CN([C@H]2Cc4cccc5cccc2c45)C3)C[C@@H]1CC#N
• InChI: InChI=1S/2C33H37N7O2.2C32H36N8O.C32H37N7O2/c2*1-3-30(41)40-17-16-38(19-24(40)10-13-34)32-27-20-39(29-18-23-8-4-6-22-7-5-9-26(29)31(22)23)21-28(27)35-33(36-32)42-25-11-14-37(2)15-12-25;2*1-4-29(41)40-14-13-37(16-23(40)11-12-33)31-26-19-38(20-27(26)34-32(35-31)39-17-24(18-39)36(2)3)28-15-22-9-5-7-21-8-6-10-25(28)30(21)22;1-3-30(40)39-18-17-38(20-25(39)11-14-33)31-28-21-37(19-24-9-6-8-23-7-4-5-10-27(23)24)22-29(28)34-32(35-31)41-26-12-15-36(2)16-13-26/h2*3-9,24-25,29H,1,10-12,14-21H2,2H3;2*4-10,23-24,28H,1,11,13-20H2,2-3H3;3-10,25-26H,1,11-13,15-22H2,2H3/t24-,29+;24-,29-;23-,28+;23-,28-;25-/m00000/s1
• InChIKey: JHVNUDXJUWQHAN-CUGXDXRGSA-N
• XLogP: 17.62
• TPSA: 432.17 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2776.50
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile?

The IUPAC name of 2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile (CID 167597777) is 2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile.

What is the SMILES notation for 2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile?

The canonical SMILES for 2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile is C=CC(=O)N1CCN(c2nc(N3CC(N(C)C)C3)nc3c2CN([C@@H]2Cc4cccc5cccc2c45)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2nc(N3CC(N(C)C)C3)nc3c2CN([C@H]2Cc4cccc5cccc2c45)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2nc(OC3CCN(C)CC3)nc3c2CN(Cc2cccc4ccccc24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2nc(OC3CCN(C)CC3)nc3c2CN([C@@H]2Cc4cccc5cccc2c45)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2nc(OC3CCN(C)CC3)nc3c2CN([C@H]2Cc4cccc5cccc2c45)C3)C[C@@H]1CC#N.

What is the InChIKey of 2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile?

The InChIKey is JHVNUDXJUWQHAN-CUGXDXRGSA-N. The full InChI is InChI=1S/2C33H37N7O2.2C32H36N8O.C32H37N7O2/c2*1-3-30(41)40-17-16-38(19-24(40)10-13-34)32-27-20-39(29-18-23-8-4-6-22-7-5-9-26(29)31(22)23)21-28(27)35-33(36-32)42-25-11-14-37(2)15-12-25;2*1-4-29(41)40-14-13-37(16-23(40)11-12-33)31-26-19-38(20-27(26)34-32(35-31)39-17-24(18-39)36(2)3)28-15-22-9-5-7-21-8-6-10-25(28)30(21)22;1-3-30(40)39-18-17-38(20-25(39)11-14-33)31-28-21-37(19-24-9-6-8-23-7-4-5-10-27(23)24)22-29(28)34-32(35-31)41-26-12-15-36(2)16-13-26/h2*3-9,24-25,29H,1,10-12,14-21H2,2H3;2*4-10,23-24,28H,1,11,13-20H2,2-3H3;3-10,25-26H,1,11-13,15-22H2,2H3/t24-,29+;24-,29-;23-,28+;23-,28-;25-/m00000/s1.

What are the key properties of 2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile?

2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile has a molecular weight of 2776.50 g/mol, XLogP of 17.62, 31 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-[3-(dimethylamino)azetidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1R)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[6-[(1S)-1,2-dihydroacenaphthylen-1-yl]-2-(1-methylpiperidin-4-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2S)-4-[2-(1-methylpiperidin-4-yl)oxy-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile is sourced from PubChem (CID 167597777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).