2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

C80H95F3IN13O5Si2 — CID 158212219

About 2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 158212219) has the molecular formula C80H95F3IN13O5Si2 and a molecular weight of 1558.80 g/mol. Its IUPAC name is 2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: 2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• PubChem CID: 158212219
• Molecular Formula: C80H95F3IN13O5Si2
• Molecular Weight: 1558.80 g/mol
• Exact Mass: 1557.61
• IUPAC Name: 2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• SMILES: COc1ccc(Cc2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncc(C)cc34)c(F)n2)cn1.COc1ccc(Cc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cn1.COc1ccc(Nc2ccc(C=O)c(F)n2)cn1.Cc1cnc2c(c1)c(I)cn2[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C30H39FN4O2Si.C21H19FN4O.C17H27IN2Si.C12H10FN3O2/c1-18(2)38(19(3)4,20(5)6)35-17-26(25-13-21(7)15-33-30(25)35)28(36)24-11-10-23(34-29(24)31)14-22-9-12-27(37-8)32-16-22;1-13-7-18-16(12-25-21(18)24-10-13)9-15-4-5-17(26-20(15)22)8-14-3-6-19(27-2)23-11-14;1-11(2)21(12(3)4,13(5)6)20-10-16(18)15-8-14(7)9-19-17(15)20;1-18-11-5-3-9(6-14-11)15-10-4-2-8(7-17)12(13)16-10/h9-13,15-20,28,36H,14H2,1-8H3;3-7,10-12H,8-9H2,1-2H3,(H,24,25);8-13H,1-7H3;2-7H,1H3,(H,15,16)
• InChIKey: GCFHPOAUBOSIGM-UHFFFAOYSA-N
• XLogP: 19.12
• TPSA: 218.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1558.80
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The IUPAC name of 2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 158212219) is 2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

What is the SMILES notation for 2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The canonical SMILES for 2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is COc1ccc(Cc2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncc(C)cc34)c(F)n2)cn1.COc1ccc(Cc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cn1.COc1ccc(Nc2ccc(C=O)c(F)n2)cn1.Cc1cnc2c(c1)c(I)cn2[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of 2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The InChIKey is GCFHPOAUBOSIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN4O2Si.C21H19FN4O.C17H27IN2Si.C12H10FN3O2/c1-18(2)38(19(3)4,20(5)6)35-17-26(25-13-21(7)15-33-30(25)35)28(36)24-11-10-23(34-29(24)31)14-22-9-12-27(37-8)32-16-22;1-13-7-18-16(12-25-21(18)24-10-13)9-15-4-5-17(26-20(15)22)8-14-3-6-19(27-2)23-11-14;1-11(2)21(12(3)4,13(5)6)20-10-16(18)15-8-14(7)9-19-17(15)20;1-18-11-5-3-9(6-14-11)15-10-4-2-8(7-17)12(13)16-10/h9-13,15-20,28,36H,14H2,1-8H3;3-7,10-12H,8-9H2,1-2H3,(H,24,25);8-13H,1-7H3;2-7H,1H3,(H,15,16).

What are the key properties of 2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 1558.80 g/mol, XLogP of 19.12, 22 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 158212219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).