sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride

C135H169Cl4F9IN26NaO9Si — CID 162097949

About sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride

sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride (PubChem CID 162097949) has the molecular formula C135H169Cl4F9IN26NaO9Si and a molecular weight of 2790.78 g/mol. Its IUPAC name is sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride
• PubChem CID: 162097949
• Molecular Formula: C135H169Cl4F9IN26NaO9Si
• Molecular Weight: 2790.78 g/mol
• Exact Mass: 2787.09
• IUPAC Name: sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride
• SMILES: C.C.C.C.C#C[C@H]1CCCCN1c1nc(OC[C@@H]2CCCN2C)nc2c1CN(C1CCc3ccccc31)C2.C#C[C@H]1CN(C(=O)C(F)(F)F)CCN1c1nc(Cl)nc2c1CCC2.C#C[C@H]1CN(C(=O)C(F)(F)F)CCN1c1nc(Cl)nc2c1CN(C1CCc3ccccc31)C2.C#C[C@H]1CN(C(=O)C(F)(F)F)CCN1c1nc(Cl)nc2c1CNC2.C#C[C@H]1CN(C(=O)C=C)CCN1c1nc(OC[C@@H]2CCCN2C)nc2c1CN(C1CCc3ccccc31)C2.C=CC(=O)Cl.CN1CCC[C@H]1CO.C[Si](C)(C)I.O=C1CCc2ccccc21.[H-].[Na+]
• InChI: InChI=1S/C30H36N6O2.C28H35N5O.C23H21ClF3N5O.C15H14ClF3N4O.C14H13ClF3N5O.C9H8O.C6H13NO.C3H3ClO.C3H9ISi.4CH4.Na.H/c1-4-22-17-34(28(37)5-2)15-16-36(22)29-25-18-35(27-13-12-21-9-6-7-11-24(21)27)19-26(25)31-30(32-29)38-20-23-10-8-14-33(23)3;1-3-21-10-6-7-16-33(21)27-24-17-32(26-14-13-20-9-4-5-12-23(20)26)18-25(24)29-28(30-27)34-19-22-11-8-15-31(22)2;1-2-15-11-30(21(33)23(25,26)27)9-10-32(15)20-17-12-31(13-18(17)28-22(24)29-20)19-8-7-14-5-3-4-6-16(14)19;1-2-9-8-22(13(24)15(17,18)19)6-7-23(9)12-10-4-3-5-11(10)20-14(16)21-12;1-2-8-7-22(12(24)14(16,17)18)3-4-23(8)11-9-5-19-6-10(9)20-13(15)21-11;10-9-6-5-7-3-1-2-4-8(7)9;1-7-4-2-3-6(7)5-8;1-2-3(4)5;1-5(2,3)4;;;;;;/h1,5-7,9,11,22-23,27H,2,8,10,12-20H2,3H3;1,4-5,9,12,21-22,26H,6-8,10-11,13-19H2,2H3;1,3-6,15,19H,7-13H2;1,9H,3-8H2;1,8,19H,3-7H2;1-4H,5-6H2;6,8H,2-5H2,1H3;2H,1H2;1-3H3;4*1H4;;/q;;;;;;;;;;;;;+1;-1/t22-,23-,27?;21-,22-,26?;15-,19?;9-;8-;;6-;;;;;;;;/m00000.0......../s1
• InChIKey: ZWSGDJAZKMTESI-IPUAJQEZSA-N
• XLogP: 17.60
• TPSA: 330.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2790.78
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride?

The IUPAC name of sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride (CID 162097949) is sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride.

What is the SMILES notation for sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride?

The canonical SMILES for sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride is C.C.C.C.C#C[C@H]1CCCCN1c1nc(OC[C@@H]2CCCN2C)nc2c1CN(C1CCc3ccccc31)C2.C#C[C@H]1CN(C(=O)C(F)(F)F)CCN1c1nc(Cl)nc2c1CCC2.C#C[C@H]1CN(C(=O)C(F)(F)F)CCN1c1nc(Cl)nc2c1CN(C1CCc3ccccc31)C2.C#C[C@H]1CN(C(=O)C(F)(F)F)CCN1c1nc(Cl)nc2c1CNC2.C#C[C@H]1CN(C(=O)C=C)CCN1c1nc(OC[C@@H]2CCCN2C)nc2c1CN(C1CCc3ccccc31)C2.C=CC(=O)Cl.CN1CCC[C@H]1CO.C[Si](C)(C)I.O=C1CCc2ccccc21.[H-].[Na+].

What is the InChIKey of sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride?

The InChIKey is ZWSGDJAZKMTESI-IPUAJQEZSA-N. The full InChI is InChI=1S/C30H36N6O2.C28H35N5O.C23H21ClF3N5O.C15H14ClF3N4O.C14H13ClF3N5O.C9H8O.C6H13NO.C3H3ClO.C3H9ISi.4CH4.Na.H/c1-4-22-17-34(28(37)5-2)15-16-36(22)29-25-18-35(27-13-12-21-9-6-7-11-24(21)27)19-26(25)31-30(32-29)38-20-23-10-8-14-33(23)3;1-3-21-10-6-7-16-33(21)27-24-17-32(26-14-13-20-9-4-5-12-23(20)26)18-25(24)29-28(30-27)34-19-22-11-8-15-31(22)2;1-2-15-11-30(21(33)23(25,26)27)9-10-32(15)20-17-12-31(13-18(17)28-22(24)29-20)19-8-7-14-5-3-4-6-16(14)19;1-2-9-8-22(13(24)15(17,18)19)6-7-23(9)12-10-4-3-5-11(10)20-14(16)21-12;1-2-8-7-22(12(24)14(16,17)18)3-4-23(8)11-9-5-19-6-10(9)20-13(15)21-11;10-9-6-5-7-3-1-2-4-8(7)9;1-7-4-2-3-6(7)5-8;1-2-3(4)5;1-5(2,3)4;;;;;;/h1,5-7,9,11,22-23,27H,2,8,10,12-20H2,3H3;1,4-5,9,12,21-22,26H,6-8,10-11,13-19H2,2H3;1,3-6,15,19H,7-13H2;1,9H,3-8H2;1,8,19H,3-7H2;1-4H,5-6H2;6,8H,2-5H2,1H3;2H,1H2;1-3H3;4*1H4;;/q;;;;;;;;;;;;;+1;-1/t22-,23-,27?;21-,22-,26?;15-,19?;9-;8-;;6-;;;;;;;;/m00000.0......../s1.

What are the key properties of sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride?

sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride has a molecular weight of 2790.78 g/mol, XLogP of 17.60, 17 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-[2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;1-[(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-ethynylpiperazin-1-yl]-2,2,2-trifluoroethanone;2,3-dihydroinden-1-one;6-(2,3-dihydro-1H-inden-1-yl)-4-[(2R)-2-ethynylpiperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-[(3S)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one;hydride;iodo(trimethyl)silane;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl chloride is sourced from PubChem (CID 162097949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).