N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one

C153H195F15IN27O28Si3 — CID 162132888

About N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one

N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one (PubChem CID 162132888) has the molecular formula C153H195F15IN27O28Si3 and a molecular weight of 3356.54 g/mol. Its IUPAC name is N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one.

Molecular Properties

• Compound Name: N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one
• PubChem CID: 162132888
• Molecular Formula: C153H195F15IN27O28Si3
• Molecular Weight: 3356.54 g/mol
• Exact Mass: 3354.28
• IUPAC Name: N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one
• SMILES: C.C.C.C.C.C#CCCC(=O)C(F)(F)F.C=COCC.CC(C)(C)[Si](OC[C@H]1O[C@@H](n2cc(C#CCNC(=O)C(F)(F)F)c3c(=O)[nH]c(N)nc32)CC1O)(c1ccccc1)c1ccccc1.CCOC(C)OC1C[C@H](n2cc(C#CCNC(=O)C(F)(F)F)c3c(=O)[nH]c(N=CN(C)C)nc32)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CN(C)C=Nc1nc2c(c(C#CCNC(=O)C(F)(F)F)cn2[C@H]2CC(O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)c(=O)[nH]1.COC(C)N(C)C.Nc1nc2c(c(C#CCNC(=O)C(F)(F)F)cn2[C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]1.Nc1nc2c(c(I)cn2[C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]1
• InChI: InChI=1S/C39H47F3N6O6Si.C35H39F3N6O5Si.C32H34F3N5O5Si.C16H16F3N5O5.C11H13IN4O4.C6H5F3O.C5H13NO.C4H8O.5CH4/c1-8-51-26(2)53-30-22-32(54-31(30)24-52-55(38(3,4)5,28-17-11-9-12-18-28)29-19-13-10-14-20-29)48-23-27(16-15-21-43-36(50)39(40,41)42)33-34(48)45-37(46-35(33)49)44-25-47(6)7;1-34(2,3)50(24-14-8-6-9-15-24,25-16-10-7-11-17-25)48-21-27-26(45)19-28(49-27)44-20-23(13-12-18-39-32(47)35(36,37)38)29-30(44)41-33(42-31(29)46)40-22-43(4)5;1-31(2,3)46(21-12-6-4-7-13-21,22-14-8-5-9-15-22)44-19-24-23(41)17-25(45-24)40-18-20(11-10-16-37-29(43)32(33,34)35)26-27(40)38-30(36)39-28(26)42;17-16(18,19)14(28)21-3-1-2-7-5-24(10-4-8(26)9(6-25)29-10)12-11(7)13(27)23-15(20)22-12;12-4-2-16(7-1-5(18)6(3-17)20-7)9-8(4)10(19)15-11(13)14-9;1-2-3-4-5(10)6(7,8)9;1-5(7-4)6(2)3;1-3-5-4-2;;;;;/h9-14,17-20,23,25-26,30-32H,8,21-22,24H2,1-7H3,(H,43,50)(H,45,46,49);6-11,14-17,20,22,26-28,45H,18-19,21H2,1-5H3,(H,39,47)(H,41,42,46);4-9,12-15,18,23-25,41H,16-17,19H2,1-3H3,(H,37,43)(H3,36,38,39,42);5,8-10,25-26H,3-4,6H2,(H,21,28)(H3,20,22,23,27);2,5-7,17-18H,1,3H2,(H3,13,14,15,19);1H,3-4H2;5H,1-4H3;3H,1,4H2,2H3;5*1H4/t26?,30?,31-,32-;26?,27-,28-;23?,24-,25-;8?,9-,10-;5?,6-,7-;;;;;;;;/m11111......../s1
• InChIKey: ZIWXVSMNXDVJBH-ULYRBYLOSA-N
• XLogP: 15.32
• TPSA: 731.51 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 44
• Rotatable Bonds: 40
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3356.54
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one?

The IUPAC name of N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one (CID 162132888) is N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one.

What is the SMILES notation for N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one?

The canonical SMILES for N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one is C.C.C.C.C.C#CCCC(=O)C(F)(F)F.C=COCC.CC(C)(C)[Si](OC[C@H]1O[C@@H](n2cc(C#CCNC(=O)C(F)(F)F)c3c(=O)[nH]c(N)nc32)CC1O)(c1ccccc1)c1ccccc1.CCOC(C)OC1C[C@H](n2cc(C#CCNC(=O)C(F)(F)F)c3c(=O)[nH]c(N=CN(C)C)nc32)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CN(C)C=Nc1nc2c(c(C#CCNC(=O)C(F)(F)F)cn2[C@H]2CC(O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)c(=O)[nH]1.COC(C)N(C)C.Nc1nc2c(c(C#CCNC(=O)C(F)(F)F)cn2[C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]1.Nc1nc2c(c(I)cn2[C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]1.

What is the InChIKey of N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one?

The InChIKey is ZIWXVSMNXDVJBH-ULYRBYLOSA-N. The full InChI is InChI=1S/C39H47F3N6O6Si.C35H39F3N6O5Si.C32H34F3N5O5Si.C16H16F3N5O5.C11H13IN4O4.C6H5F3O.C5H13NO.C4H8O.5CH4/c1-8-51-26(2)53-30-22-32(54-31(30)24-52-55(38(3,4)5,28-17-11-9-12-18-28)29-19-13-10-14-20-29)48-23-27(16-15-21-43-36(50)39(40,41)42)33-34(48)45-37(46-35(33)49)44-25-47(6)7;1-34(2,3)50(24-14-8-6-9-15-24,25-16-10-7-11-17-25)48-21-27-26(45)19-28(49-27)44-20-23(13-12-18-39-32(47)35(36,37)38)29-30(44)41-33(42-31(29)46)40-22-43(4)5;1-31(2,3)46(21-12-6-4-7-13-21,22-14-8-5-9-15-22)44-19-24-23(41)17-25(45-24)40-18-20(11-10-16-37-29(43)32(33,34)35)26-27(40)38-30(36)39-28(26)42;17-16(18,19)14(28)21-3-1-2-7-5-24(10-4-8(26)9(6-25)29-10)12-11(7)13(27)23-15(20)22-12;12-4-2-16(7-1-5(18)6(3-17)20-7)9-8(4)10(19)15-11(13)14-9;1-2-3-4-5(10)6(7,8)9;1-5(7-4)6(2)3;1-3-5-4-2;;;;;/h9-14,17-20,23,25-26,30-32H,8,21-22,24H2,1-7H3,(H,43,50)(H,45,46,49);6-11,14-17,20,22,26-28,45H,18-19,21H2,1-5H3,(H,39,47)(H,41,42,46);4-9,12-15,18,23-25,41H,16-17,19H2,1-3H3,(H,37,43)(H3,36,38,39,42);5,8-10,25-26H,3-4,6H2,(H,21,28)(H3,20,22,23,27);2,5-7,17-18H,1,3H2,(H3,13,14,15,19);1H,3-4H2;5H,1-4H3;3H,1,4H2,2H3;5*1H4/t26?,30?,31-,32-;26?,27-,28-;23?,24-,25-;8?,9-,10-;5?,6-,7-;;;;;;;;/m11111......../s1.

What are the key properties of N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one?

N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one has a molecular weight of 3356.54 g/mol, XLogP of 15.32, 40 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;methane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one is sourced from PubChem (CID 162132888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).