N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide

C167H201Cl6F6N31O9 — CID 159465692

About N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide

N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide (PubChem CID 159465692) has the molecular formula C167H201Cl6F6N31O9 and a molecular weight of 3113.36 g/mol. Its IUPAC name is N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide.

Molecular Properties

• Compound Name: N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide
• PubChem CID: 159465692
• Molecular Formula: C167H201Cl6F6N31O9
• Molecular Weight: 3113.36 g/mol
• Exact Mass: 3108.43
• IUPAC Name: N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide
• SMILES: C/C(N)=N\CC[C@@H]1CCC[C@@H](c2ccc(-n3cc4cc(-c5cc(CCC[C@@H](C)CO)cc(Cl)c5F)[nH]c4nc3=O)cc2)N1.C/C(N)=N\CC[C@H]1CC(/N=C(\C)N)C[C@H](c2ccc(-n3cc4cc(-c5cc(CCCC(C)C)cc(Cl)c5F)[nH]c4nc3=O)cc2)O1.C/C(N)=N\CC[C@H]1CC(N)C[C@H](c2ccc(-n3cc4cc(-c5cc(CCCC(C)C)cc(Cl)c5F)[nH]c4nc3=O)cc2)O1.CC(C)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc([C@@H]5CCC[C@@H](CC/N=C(/N)CCl)N5)cc4)c(=O)nc3[nH]2)c1.C[C@@H](CO)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc([C@@H]5CCC[C@@H](CC/N=C(/N)CF)N5)cc4)c(=O)nc3[nH]2)c1
• InChI: InChI=1S/C35H43ClFN7O2.C33H39Cl2FN6O.C33H39ClF2N6O2.2C33H40ClFN6O2/c1-20(2)6-5-7-23-14-29(33(37)30(36)15-23)31-16-25-19-44(35(45)43-34(25)42-31)27-10-8-24(9-11-27)32-18-26(41-22(4)39)17-28(46-32)12-13-40-21(3)38;1-20(2)5-3-6-21-15-26(31(36)27(35)16-21)29-17-23-19-42(33(43)41-32(23)40-29)25-11-9-22(10-12-25)28-8-4-7-24(39-28)13-14-38-30(37)18-34;1-20(19-43)4-2-5-21-14-26(31(36)27(34)15-21)29-16-23-18-42(33(44)41-32(23)40-29)25-10-8-22(9-11-25)28-7-3-6-24(39-28)12-13-38-30(37)17-35;1-19(2)5-4-6-21-13-27(31(35)28(34)14-21)29-15-23-18-41(33(42)40-32(23)39-29)25-9-7-22(8-10-25)30-17-24(37)16-26(43-30)11-12-38-20(3)36;1-20(19-42)5-3-6-22-15-27(31(35)28(34)16-22)30-17-24-18-41(33(43)40-32(24)39-30)26-11-9-23(10-12-26)29-8-4-7-25(38-29)13-14-37-21(2)36/h8-11,14-16,19-20,26,28,32H,5-7,12-13,17-18H2,1-4H3,(H2,38,40)(H2,39,41)(H,42,43,45);9-12,15-17,19-20,24,28,39H,3-8,13-14,18H2,1-2H3,(H2,37,38)(H,40,41,43);8-11,14-16,18,20,24,28,39,43H,2-7,12-13,17,19H2,1H3,(H2,37,38)(H,40,41,44);7-10,13-15,18-19,24,26,30H,4-6,11-12,16-17,37H2,1-3H3,(H2,36,38)(H,39,40,42);9-12,15-18,20,25,29,38,42H,3-8,13-14,19H2,1-2H3,(H2,36,37)(H,39,40,43)/t26?,28-,32+;24-,28-;20-,24+,28+;24?,26-,30+;20-,25+,29+/m00101/s1
• InChIKey: LVDMXSUWOLPSBN-UPVPTBFQSA-N
• XLogP: 32.77
• TPSA: 604.71 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 29
• Rotatable Bonds: 55
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3113.36
LogP ≤ 5	32.77
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide?

The IUPAC name of N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide (CID 159465692) is N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide.

What is the SMILES notation for N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide?

The canonical SMILES for N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide is C/C(N)=N\CC[C@@H]1CCC[C@@H](c2ccc(-n3cc4cc(-c5cc(CCC[C@@H](C)CO)cc(Cl)c5F)[nH]c4nc3=O)cc2)N1.C/C(N)=N\CC[C@H]1CC(/N=C(\C)N)C[C@H](c2ccc(-n3cc4cc(-c5cc(CCCC(C)C)cc(Cl)c5F)[nH]c4nc3=O)cc2)O1.C/C(N)=N\CC[C@H]1CC(N)C[C@H](c2ccc(-n3cc4cc(-c5cc(CCCC(C)C)cc(Cl)c5F)[nH]c4nc3=O)cc2)O1.CC(C)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc([C@@H]5CCC[C@@H](CC/N=C(/N)CCl)N5)cc4)c(=O)nc3[nH]2)c1.C[C@@H](CO)CCCc1cc(Cl)c(F)c(-c2cc3cn(-c4ccc([C@@H]5CCC[C@@H](CC/N=C(/N)CF)N5)cc4)c(=O)nc3[nH]2)c1.

What is the InChIKey of N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide?

The InChIKey is LVDMXSUWOLPSBN-UPVPTBFQSA-N. The full InChI is InChI=1S/C35H43ClFN7O2.C33H39Cl2FN6O.C33H39ClF2N6O2.2C33H40ClFN6O2/c1-20(2)6-5-7-23-14-29(33(37)30(36)15-23)31-16-25-19-44(35(45)43-34(25)42-31)27-10-8-24(9-11-27)32-18-26(41-22(4)39)17-28(46-32)12-13-40-21(3)38;1-20(2)5-3-6-21-15-26(31(36)27(35)16-21)29-17-23-19-42(33(43)41-32(23)40-29)25-11-9-22(10-12-25)28-8-4-7-24(39-28)13-14-38-30(37)18-34;1-20(19-43)4-2-5-21-14-26(31(36)27(34)15-21)29-16-23-18-42(33(44)41-32(23)40-29)25-10-8-22(9-11-25)28-7-3-6-24(39-28)12-13-38-30(37)17-35;1-19(2)5-4-6-21-13-27(31(35)28(34)14-21)29-15-23-18-41(33(42)40-32(23)39-29)25-9-7-22(8-10-25)30-17-24(37)16-26(43-30)11-12-38-20(3)36;1-20(19-42)5-3-6-22-15-27(31(35)28(34)16-22)30-17-24-18-41(33(43)40-32(24)39-30)26-11-9-23(10-12-26)29-8-4-7-25(38-29)13-14-37-21(2)36/h8-11,14-16,19-20,26,28,32H,5-7,12-13,17-18H2,1-4H3,(H2,38,40)(H2,39,41)(H,42,43,45);9-12,15-17,19-20,24,28,39H,3-8,13-14,18H2,1-2H3,(H2,37,38)(H,40,41,43);8-11,14-16,18,20,24,28,39,43H,2-7,12-13,17,19H2,1H3,(H2,37,38)(H,40,41,44);7-10,13-15,18-19,24,26,30H,4-6,11-12,16-17,37H2,1-3H3,(H2,36,38)(H,39,40,42);9-12,15-18,20,25,29,38,42H,3-8,13-14,19H2,1-2H3,(H2,36,37)(H,39,40,43)/t26?,28-,32+;24-,28-;20-,24+,28+;24?,26-,30+;20-,25+,29+/m00101/s1.

What are the key properties of N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide?

N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide has a molecular weight of 3113.36 g/mol, XLogP of 32.77, 55 rotatable bonds, 17 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[(2S,6R)-4-amino-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6R)-4-(1-aminoethylideneamino)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]oxan-2-yl]ethyl]ethanimidamide;2-chloro-N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-(4-methylpentyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]ethanimidamide;N'-[2-[(2S,6S)-6-[4-[6-[3-chloro-2-fluoro-5-[(4R)-5-hydroxy-4-methylpentyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]phenyl]piperidin-2-yl]ethyl]-2-fluoroethanimidamide is sourced from PubChem (CID 159465692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).