(2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide

C73H77Cl3F4I5N21O7 — CID 158536634

About (2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide

(2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide (PubChem CID 158536634) has the molecular formula C73H77Cl3F4I5N21O7 and a molecular weight of 2177.43 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide
• PubChem CID: 158536634
• Molecular Formula: C73H77Cl3F4I5N21O7
• Molecular Weight: 2177.43 g/mol
• Exact Mass: 2175.05
• IUPAC Name: (2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide
• SMILES: CC[C@H]1O[C@@H](n2cc(I)c3c(Cl)ncnc32)[C@](C)(F)[C@@H]1C.CC[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)[C@](C)(F)[C@@H]1C.CC[C@H]1O[C@@H](n2cc(I)c3c(NC(=O)c4ccccc4)ncnc32)[C@](C)(F)[C@@H]1C.C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1cc(I)c2c(N)ncnc21.Clc1ncnc2[nH]cc(I)c12.Clc1ncnc2[nH]ccc12
• InChI: InChI=1S/C21H22FIN4O2.C14H16ClFIN3O.C14H18FIN4O.C12H14FIN4O3.C6H3ClIN3.C6H4ClN3/c1-4-15-12(2)21(3,22)20(29-15)27-10-14(23)16-17(24-11-25-18(16)27)26-19(28)13-8-6-5-7-9-13;1-4-9-7(2)14(3,16)13(21-9)20-5-8(17)10-11(15)18-6-19-12(10)20;1-4-9-7(2)14(3,15)13(21-9)20-5-8(16)10-11(17)18-6-19-12(10)20;1-12(13)8(20)6(3-19)21-11(12)18-2-5(14)7-9(15)16-4-17-10(7)18;7-5-4-3(8)1-9-6(4)11-2-10-5;7-5-4-1-2-8-6(4)10-3-9-5/h5-12,15,20H,4H2,1-3H3,(H,24,25,26,28);5-7,9,13H,4H2,1-3H3;5-7,9,13H,4H2,1-3H3,(H2,17,18,19);2,4,6,8,11,19-20H,3H2,1H3,(H2,15,16,17);1-2H,(H,9,10,11);1-3H,(H,8,9,10)/t12-,15-,20-,21-;2*7-,9-,13-,14-;6-,8-,11-,12-;;/m1111../s1
• InChIKey: HOAFTLMPCCHLPT-OZIGDPPKSA-N
• XLogP: 17.03
• TPSA: 364.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2177.43
LogP ≤ 5	17.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide?

The IUPAC name of (2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide (CID 158536634) is (2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide.

What is the SMILES notation for (2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide?

The canonical SMILES for (2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide is CC[C@H]1O[C@@H](n2cc(I)c3c(Cl)ncnc32)[C@](C)(F)[C@@H]1C.CC[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)[C@](C)(F)[C@@H]1C.CC[C@H]1O[C@@H](n2cc(I)c3c(NC(=O)c4ccccc4)ncnc32)[C@](C)(F)[C@@H]1C.C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1cc(I)c2c(N)ncnc21.Clc1ncnc2[nH]cc(I)c12.Clc1ncnc2[nH]ccc12.

What is the InChIKey of (2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide?

The InChIKey is HOAFTLMPCCHLPT-OZIGDPPKSA-N. The full InChI is InChI=1S/C21H22FIN4O2.C14H16ClFIN3O.C14H18FIN4O.C12H14FIN4O3.C6H3ClIN3.C6H4ClN3/c1-4-15-12(2)21(3,22)20(29-15)27-10-14(23)16-17(24-11-25-18(16)27)26-19(28)13-8-6-5-7-9-13;1-4-9-7(2)14(3,16)13(21-9)20-5-8(17)10-11(15)18-6-19-12(10)20;1-4-9-7(2)14(3,15)13(21-9)20-5-8(16)10-11(17)18-6-19-12(10)20;1-12(13)8(20)6(3-19)21-11(12)18-2-5(14)7-9(15)16-4-17-10(7)18;7-5-4-3(8)1-9-6(4)11-2-10-5;7-5-4-1-2-8-6(4)10-3-9-5/h5-12,15,20H,4H2,1-3H3,(H,24,25,26,28);5-7,9,13H,4H2,1-3H3;5-7,9,13H,4H2,1-3H3,(H2,17,18,19);2,4,6,8,11,19-20H,3H2,1H3,(H2,15,16,17);1-2H,(H,9,10,11);1-3H,(H,8,9,10)/t12-,15-,20-,21-;2*7-,9-,13-,14-;6-,8-,11-,12-;;/m1111../s1.

What are the key properties of (2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide?

(2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide has a molecular weight of 2177.43 g/mol, XLogP of 17.03, 10 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;4-chloro-7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine;N-[7-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 158536634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).