[4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone

C138H147F12N31O19 — CID 158260515

About [4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone

[4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone (PubChem CID 158260515) has the molecular formula C138H147F12N31O19 and a molecular weight of 2771.87 g/mol. Its IUPAC name is [4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone.

Molecular Properties

• Compound Name: [4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone
• PubChem CID: 158260515
• Molecular Formula: C138H147F12N31O19
• Molecular Weight: 2771.87 g/mol
• Exact Mass: 2770.13
• IUPAC Name: [4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone
• SMILES: Cc1c(F)cccc1[C@H]1C[C@H](F)CN1C(=O)C1=NCc2ncnc(N[C@@H]3CCC[C@@H](O)[C@H]3O)c21.Cc1cc(F)cc([C@H]2C[C@H](F)CN2C(=O)C2=NCc3ncnc(N[C@@H]4C=C[C@@H](O)[C@H]4O)c32)c1.Cc1cc(F)cc([C@H]2C[C@H](F)CN2C(=O)C2=NCc3ncnc(N[C@@H]4COC[C@@H](O)[C@H]4O)c32)c1.Cc1ccc(F)cc1[C@H]1C[C@H](F)CN1C(=O)C1=NCc2ncnc(N[C@@H]3CCOC[C@H]3O)c21.Cc1ccc(F)cc1[C@H]1C[C@H](F)CN1C(=O)C1=NCc2ncnc(N[C@@H]3CC[C@@H](O)[C@H]3O)c21.Cc1ncc(F)cc1[C@H]1C[C@H](F)CN1C(=O)C1=NCc2ncnc(N[C@@H]3C=C[C@@H](O)[C@H]3O)c21
• InChI: InChI=1S/C24H27F2N5O3.C23H25F2N5O4.C23H23F2N5O3.2C23H25F2N5O3.C22H22F2N6O3/c1-12-14(4-2-5-15(12)26)18-8-13(25)10-31(18)24(34)21-20-17(9-27-21)28-11-29-23(20)30-16-6-3-7-19(32)22(16)33;1-11-2-12(4-13(24)3-11)17-5-14(25)7-30(17)23(33)20-19-15(6-26-20)27-10-28-22(19)29-16-8-34-9-18(31)21(16)32;1-11-4-12(6-13(24)5-11)17-7-14(25)9-30(17)23(33)20-19-16(8-26-20)27-10-28-22(19)29-15-2-3-18(31)21(15)32;1-12-2-3-13(24)6-15(12)18-7-14(25)9-30(18)23(32)21-20-17(8-26-21)27-11-28-22(20)29-16-4-5-33-10-19(16)31;1-11-2-3-12(24)6-14(11)17-7-13(25)9-30(17)23(33)20-19-16(8-26-20)27-10-28-22(19)29-15-4-5-18(31)21(15)32;1-10-13(4-11(23)6-25-10)16-5-12(24)8-30(16)22(33)19-18-15(7-26-19)27-9-28-21(18)29-14-2-3-17(31)20(14)32/h2,4-5,11,13,16,18-19,22,32-33H,3,6-10H2,1H3,(H,28,29,30);2-4,10,14,16-18,21,31-32H,5-9H2,1H3,(H,27,28,29);2-6,10,14-15,17-18,21,31-32H,7-9H2,1H3,(H,27,28,29);2-3,6,11,14,16,18-19,31H,4-5,7-10H2,1H3,(H,27,28,29);2-3,6,10,13,15,17-18,21,31-32H,4-5,7-9H2,1H3,(H,27,28,29);2-4,6,9,12,14,16-17,20,31-32H,5,7-8H2,1H3,(H,27,28,29)/t13-,16+,18+,19+,22-;14-,16+,17+,18+,21-;14-,15+,17+,18+,21-;14-,16+,18+,19+;13-,15+,17+,18+,21-;12-,14+,16+,17+,20-/m000000/s1
• InChIKey: GHUWOVJOLLXAJD-IONPPAKRSA-N
• XLogP: 9.85
• TPSA: 676.76 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 44
• Rotatable Bonds: 24
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2771.87
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone?

The IUPAC name of [4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone (CID 158260515) is [4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone.

What is the SMILES notation for [4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone?

The canonical SMILES for [4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone is Cc1c(F)cccc1[C@H]1C[C@H](F)CN1C(=O)C1=NCc2ncnc(N[C@@H]3CCC[C@@H](O)[C@H]3O)c21.Cc1cc(F)cc([C@H]2C[C@H](F)CN2C(=O)C2=NCc3ncnc(N[C@@H]4C=C[C@@H](O)[C@H]4O)c32)c1.Cc1cc(F)cc([C@H]2C[C@H](F)CN2C(=O)C2=NCc3ncnc(N[C@@H]4COC[C@@H](O)[C@H]4O)c32)c1.Cc1ccc(F)cc1[C@H]1C[C@H](F)CN1C(=O)C1=NCc2ncnc(N[C@@H]3CCOC[C@H]3O)c21.Cc1ccc(F)cc1[C@H]1C[C@H](F)CN1C(=O)C1=NCc2ncnc(N[C@@H]3CC[C@@H](O)[C@H]3O)c21.Cc1ncc(F)cc1[C@H]1C[C@H](F)CN1C(=O)C1=NCc2ncnc(N[C@@H]3C=C[C@@H](O)[C@H]3O)c21.

What is the InChIKey of [4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone?

The InChIKey is GHUWOVJOLLXAJD-IONPPAKRSA-N. The full InChI is InChI=1S/C24H27F2N5O3.C23H25F2N5O4.C23H23F2N5O3.2C23H25F2N5O3.C22H22F2N6O3/c1-12-14(4-2-5-15(12)26)18-8-13(25)10-31(18)24(34)21-20-17(9-27-21)28-11-29-23(20)30-16-6-3-7-19(32)22(16)33;1-11-2-12(4-13(24)3-11)17-5-14(25)7-30(17)23(33)20-19-15(6-26-20)27-10-28-22(19)29-16-8-34-9-18(31)21(16)32;1-11-4-12(6-13(24)5-11)17-7-14(25)9-30(17)23(33)20-19-16(8-26-20)27-10-28-22(19)29-15-2-3-18(31)21(15)32;1-12-2-3-13(24)6-15(12)18-7-14(25)9-30(18)23(32)21-20-17(8-26-21)27-11-28-22(20)29-16-4-5-33-10-19(16)31;1-11-2-3-12(24)6-14(11)17-7-13(25)9-30(17)23(33)20-19-16(8-26-20)27-10-28-22(19)29-15-4-5-18(31)21(15)32;1-10-13(4-11(23)6-25-10)16-5-12(24)8-30(16)22(33)19-18-15(7-26-19)27-9-28-21(18)29-14-2-3-17(31)20(14)32/h2,4-5,11,13,16,18-19,22,32-33H,3,6-10H2,1H3,(H,28,29,30);2-4,10,14,16-18,21,31-32H,5-9H2,1H3,(H,27,28,29);2-6,10,14-15,17-18,21,31-32H,7-9H2,1H3,(H,27,28,29);2-3,6,11,14,16,18-19,31H,4-5,7-10H2,1H3,(H,27,28,29);2-3,6,10,13,15,17-18,21,31-32H,4-5,7-9H2,1H3,(H,27,28,29);2-4,6,9,12,14,16-17,20,31-32H,5,7-8H2,1H3,(H,27,28,29)/t13-,16+,18+,19+,22-;14-,16+,17+,18+,21-;14-,15+,17+,18+,21-;14-,16+,18+,19+;13-,15+,17+,18+,21-;12-,14+,16+,17+,20-/m000000/s1.

What are the key properties of [4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone?

[4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone has a molecular weight of 2771.87 g/mol, XLogP of 9.85, 24 rotatable bonds, 17 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(1R,2S,3R)-2,3-dihydroxycyclohexyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone;[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]methanone;[4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]methanone;[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 158260515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).