3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol

C55H74F2N6O5Si — CID 159556279

About 3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol

3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol (PubChem CID 159556279) has the molecular formula C55H74F2N6O5Si and a molecular weight of 965.32 g/mol. Its IUPAC name is 3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol.

Molecular Properties

• Compound Name: 3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol
• PubChem CID: 159556279
• Molecular Formula: C55H74F2N6O5Si
• Molecular Weight: 965.32 g/mol
• Exact Mass: 964.55
• IUPAC Name: 3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol
• SMILES: C.C.C.C.COc1cc(Cc2c[nH]c3ncccc23)c(F)cc1OCc1ccncc1.COc1cc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(F)cc1O.OCc1ccncc1
• InChI: InChI=1S/C24H33FN2O2Si.C21H18FN3O2.C6H7NO.4CH4/c1-15(2)30(16(3)4,17(5)6)27-14-19(20-9-8-10-26-24(20)27)11-18-12-23(29-7)22(28)13-21(18)25;1-26-19-10-15(9-16-12-25-21-17(16)3-2-6-24-21)18(22)11-20(19)27-13-14-4-7-23-8-5-14;8-5-6-1-3-7-4-2-6;;;;/h8-10,12-17,28H,11H2,1-7H3;2-8,10-12H,9,13H2,1H3,(H,24,25);1-4,8H,5H2;4*1H4
• InChIKey: MGAKAXHMIMPSOD-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 140.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.32
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol?

The IUPAC name of 3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol (CID 159556279) is 3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol.

What is the SMILES notation for 3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol?

The canonical SMILES for 3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol is C.C.C.C.COc1cc(Cc2c[nH]c3ncccc23)c(F)cc1OCc1ccncc1.COc1cc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(F)cc1O.OCc1ccncc1.

What is the InChIKey of 3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol?

The InChIKey is MGAKAXHMIMPSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O2Si.C21H18FN3O2.C6H7NO.4CH4/c1-15(2)30(16(3)4,17(5)6)27-14-19(20-9-8-10-26-24(20)27)11-18-12-23(29-7)22(28)13-21(18)25;1-26-19-10-15(9-16-12-25-21-17(16)3-2-6-24-21)18(22)11-20(19)27-13-14-4-7-23-8-5-14;8-5-6-1-3-7-4-2-6;;;;/h8-10,12-17,28H,11H2,1-7H3;2-8,10-12H,9,13H2,1H3,(H,24,25);1-4,8H,5H2;4*1H4.

What are the key properties of 3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol?

3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol has a molecular weight of 965.32 g/mol, XLogP of 13.90, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-fluoro-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methane;pyridin-4-ylmethanol is sourced from PubChem (CID 159556279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).