Tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone

C₈₈H₁₁₃IN₁₈O₁₀Si₂ — CID 159748171

About Tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone

Tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone (PubChem CID 159748171) has the molecular formula C₈₈H₁₁₃IN₁₈O₁₀Si₂ and a molecular weight of 1766.06 g/mol. Its IUPAC name is tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone.

Molecular Properties

• Compound Name: Tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
• PubChem CID: 159748171
• Molecular Formula: C₈₈H₁₁₃IN₁₈O₁₀Si₂
• Molecular Weight: 1766.06 g/mol
• Exact Mass: 1764.75
• IUPAC Name: tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cncnc21.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncncc34)c(C)n2)cn1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)c(C)n2)cn1.COc1ccc(CNc2ccc(C(=O)c3c[nH]c4ncncc34)c(C)n2)cn1
• InChI: InChI=1S/C34H48N6O4Si.C20H18N6O2.C19H23N3O4.C15H24IN3Si/c1-21(2)45(22(3)4,23(5)6)40-19-28(27-17-35-20-37-32(27)40)31(41)26-13-14-29(38-24(26)7)39(33(42)44-34(8,9)10)18-25-12-15-30(43-11)36-16-25;1-12-14(19(27)15-10-24-20-16(15)9-21-11-25-20)4-5-17(26-12)22-7-13-3-6-18(28-2)23-8-13;1-13-15(12-23)7-8-16(21-13)22(18(24)26-19(2,3)4)11-14-6-9-17(25-5)20-10-14;1-10(2)20(11(3)4,12(5)6)19-8-14(16)13-7-17-9-18-15(13)19/h12-17,19-23,31,41H,18H2,1-11H3;3-6,8-11H,7H2,1-2H3,(H,22,26)(H,21,24,25);6-10,12H,11H2,1-5H3;7-12H,1-6H3
• InChIKey: NDHUTYKVPNYDLI-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 333.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.06
LogP ≤ 5	19.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone?

The IUPAC name of Tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone (CID 159748171) is tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone.

What is the SMILES notation for Tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone?

The canonical SMILES for Tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone is CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cncnc21.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncncc34)c(C)n2)cn1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)c(C)n2)cn1.COc1ccc(CNc2ccc(C(=O)c3c[nH]c4ncncc34)c(C)n2)cn1.

What is the InChIKey of Tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone?

The InChIKey is NDHUTYKVPNYDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N6O4Si.C20H18N6O2.C19H23N3O4.C15H24IN3Si/c1-21(2)45(22(3)4,23(5)6)40-19-28(27-17-35-20-37-32(27)40)31(41)26-13-14-29(38-24(26)7)39(33(42)44-34(8,9)10)18-25-12-15-30(43-11)36-16-25;1-12-14(19(27)15-10-24-20-16(15)9-21-11-25-20)4-5-17(26-12)22-7-13-3-6-18(28-2)23-8-13;1-13-15(12-23)7-8-16(21-13)22(18(24)26-19(2,3)4)11-14-6-9-17(25-5)20-10-14;1-10(2)20(11(3)4,12(5)6)19-8-14(16)13-7-17-9-18-15(13)19/h12-17,19-23,31,41H,18H2,1-11H3;3-6,8-11H,7H2,1-2H3,(H,22,26)(H,21,24,25);6-10,12H,11H2,1-5H3;7-12H,1-6H3.

What are the key properties of Tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone?

Tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone has a molecular weight of 1766.06 g/mol, XLogP of 19.10, 25 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone is sourced from PubChem (CID 159748171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159748171 — identifiers, structure, computed properties (public domain)

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