(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate

C122H128Cl5F8N19O24 — CID 160588517

About (R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate

(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate (PubChem CID 160588517) has the molecular formula C122H128Cl5F8N19O24 and a molecular weight of 2573.72 g/mol. Its IUPAC name is (R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate.

Molecular Properties

• Compound Name: (R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate
• PubChem CID: 160588517
• Molecular Formula: C122H128Cl5F8N19O24
• Molecular Weight: 2573.72 g/mol
• Exact Mass: 2569.77
• IUPAC Name: (R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate
• SMILES: C.C.C.C.C.CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)c1ccc(Cl)c(F)c1)O[C@H]2n1ccc2cncnc21.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3cncnc31)O[C@@H]2[C@@H](O)c1ccc(Cl)c(F)c1.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3cncnc31)O[C@@H]2[C@@H](c1ccc(Cl)c(F)c1)N1C(=O)c2ccccc2C1=O.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3cncnc31)O[C@@H]2[C@H](N)c1ccc(Cl)c(F)c1.CCO.N[C@H](c1ccc(Cl)c(F)c1)[C@H]1O[C@@H](n2ccc3cncnc32)[C@H](O)[C@@H]1O.O.O=C1NC(=O)c2ccccc21.O=CC(F)(F)F
• InChI: InChI=1S/C28H22ClFN4O5.C20H20ClFN4O3.C20H19ClFN3O4.C20H17ClFN3O4.C17H16ClFN4O3.C8H5NO2.C2HF3O.C2H6O.5CH4.H2O/c1-28(2)38-22-21(37-27(23(22)39-28)33-10-9-15-12-31-13-32-24(15)33)20(14-7-8-18(29)19(30)11-14)34-25(35)16-5-3-4-6-17(16)26(34)36;1-20(2)28-16-15(14(23)10-3-4-12(21)13(22)7-10)27-19(17(16)29-20)26-6-5-11-8-24-9-25-18(11)26;2*1-20(2)28-16-15(14(26)10-3-4-12(21)13(22)7-10)27-19(17(16)29-20)25-6-5-11-8-23-9-24-18(11)25;18-10-2-1-8(5-11(10)19)12(20)15-13(24)14(25)17(26-15)23-4-3-9-6-21-7-22-16(9)23;10-7-5-3-1-2-4-6(5)8(11)9-7;3-2(4,5)1-6;1-2-3;;;;;;/h3-13,20-23,27H,1-2H3;3-9,14-17,19H,23H2,1-2H3;3-9,14-17,19,26H,1-2H3;3-9,15-17,19H,1-2H3;1-7,12-15,17,24-25H,20H2;1-4H,(H,9,10,11);1H;3H,2H2,1H3;5*1H4;1H2/t20-,21-,22-,23-,27-;14-,15-,16-,17-,19-;14-,15+,16+,17+,19+;15-,16-,17-,19-;12-,13+,14-,15-,17-;;;;;;;;;/m11011........./s1
• InChIKey: WYBAAFCZQSRRKR-SNPCBALWSA-N
• XLogP: 20.13
• TPSA: 555.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 16
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2573.72
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate?

The IUPAC name of (R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate (CID 160588517) is (R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate.

What is the SMILES notation for (R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate?

The canonical SMILES for (R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate is C.C.C.C.C.CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)c1ccc(Cl)c(F)c1)O[C@H]2n1ccc2cncnc21.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3cncnc31)O[C@@H]2[C@@H](O)c1ccc(Cl)c(F)c1.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3cncnc31)O[C@@H]2[C@@H](c1ccc(Cl)c(F)c1)N1C(=O)c2ccccc2C1=O.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3cncnc31)O[C@@H]2[C@H](N)c1ccc(Cl)c(F)c1.CCO.N[C@H](c1ccc(Cl)c(F)c1)[C@H]1O[C@@H](n2ccc3cncnc32)[C@H](O)[C@@H]1O.O.O=C1NC(=O)c2ccccc21.O=CC(F)(F)F.

What is the InChIKey of (R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate?

The InChIKey is WYBAAFCZQSRRKR-SNPCBALWSA-N. The full InChI is InChI=1S/C28H22ClFN4O5.C20H20ClFN4O3.C20H19ClFN3O4.C20H17ClFN3O4.C17H16ClFN4O3.C8H5NO2.C2HF3O.C2H6O.5CH4.H2O/c1-28(2)38-22-21(37-27(23(22)39-28)33-10-9-15-12-31-13-32-24(15)33)20(14-7-8-18(29)19(30)11-14)34-25(35)16-5-3-4-6-17(16)26(34)36;1-20(2)28-16-15(14(23)10-3-4-12(21)13(22)7-10)27-19(17(16)29-20)26-6-5-11-8-24-9-25-18(11)26;2*1-20(2)28-16-15(14(26)10-3-4-12(21)13(22)7-10)27-19(17(16)29-20)25-6-5-11-8-23-9-24-18(11)25;18-10-2-1-8(5-11(10)19)12(20)15-13(24)14(25)17(26-15)23-4-3-9-6-21-7-22-16(9)23;10-7-5-3-1-2-4-6(5)8(11)9-7;3-2(4,5)1-6;1-2-3;;;;;;/h3-13,20-23,27H,1-2H3;3-9,14-17,19H,23H2,1-2H3;3-9,14-17,19,26H,1-2H3;3-9,15-17,19H,1-2H3;1-7,12-15,17,24-25H,20H2;1-4H,(H,9,10,11);1H;3H,2H2,1H3;5*1H4;1H2/t20-,21-,22-,23-,27-;14-,15-,16-,17-,19-;14-,15+,16+,17+,19+;15-,16-,17-,19-;12-,13+,14-,15-,17-;;;;;;;;;/m11011........./s1.

What are the key properties of (R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate?

(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate has a molecular weight of 2573.72 g/mol, XLogP of 20.13, 16 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanamine;(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanol;[(3aR,4R,6S,6aS)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methanone;2-[(R)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-pyrrolo[2,3-d]pyrimidin-7-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chloro-3-fluorophenyl)methyl]isoindole-1,3-dione;(2R,3S,4R,5R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol;ethanol;isoindole-1,3-dione;methane;2,2,2-trifluoroacetaldehyde;hydrate is sourced from PubChem (CID 160588517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).