3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol

C125H132Cl2F10N10O5Si3 — CID 160729433

About 3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol

3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol (PubChem CID 160729433) has the molecular formula C125H132Cl2F10N10O5Si3 and a molecular weight of 2199.64 g/mol. Its IUPAC name is 3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol.

Molecular Properties

• Compound Name: 3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol
• PubChem CID: 160729433
• Molecular Formula: C125H132Cl2F10N10O5Si3
• Molecular Weight: 2199.64 g/mol
• Exact Mass: 2196.89
• IUPAC Name: 3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2cc(F)c(O)cc2F)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2cc(F)c(OCc3ccc(Cl)cc3)cc2F)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2cc(F)c(OCc3ccccc3)cc2F)c2cccnc21.Fc1cc(OCc2ccc(Cl)cc2)c(F)cc1Cc1c[nH]c2ncccc12.Fc1cc(OCc2ccccc2)c(F)cc1Cc1c[nH]c2ncccc12
• InChI: InChI=1S/C30H35ClF2N2OSi.C30H36F2N2OSi.C23H30F2N2OSi.C21H15ClF2N2O.C21H16F2N2O/c1-19(2)37(20(3)4,21(5)6)35-17-24(26-8-7-13-34-30(26)35)14-23-15-28(33)29(16-27(23)32)36-18-22-9-11-25(31)12-10-22;1-20(2)36(21(3)4,22(5)6)34-18-25(26-13-10-14-33-30(26)34)15-24-16-28(32)29(17-27(24)31)35-19-23-11-8-7-9-12-23;1-14(2)29(15(3)4,16(5)6)27-13-18(19-8-7-9-26-23(19)27)10-17-11-21(25)22(28)12-20(17)24;22-16-5-3-13(4-6-16)12-27-20-10-18(23)14(9-19(20)24)8-15-11-26-21-17(15)2-1-7-25-21;22-18-11-20(26-13-14-5-2-1-3-6-14)19(23)10-15(18)9-16-12-25-21-17(16)7-4-8-24-21/h7-13,15-17,19-21H,14,18H2,1-6H3;7-14,16-18,20-22H,15,19H2,1-6H3;7-9,11-16,28H,10H2,1-6H3;1-7,9-11H,8,12H2,(H,25,26);1-8,10-12H,9,13H2,(H,24,25)
• InChIKey: RUDCMHQMFIQAPL-UHFFFAOYSA-N
• XLogP: 34.98
• TPSA: 167.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 34
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2199.64
LogP ≤ 5	34.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol?

The IUPAC name of 3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol (CID 160729433) is 3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol.

What is the SMILES notation for 3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol?

The canonical SMILES for 3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol is CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2cc(F)c(O)cc2F)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2cc(F)c(OCc3ccc(Cl)cc3)cc2F)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2cc(F)c(OCc3ccccc3)cc2F)c2cccnc21.Fc1cc(OCc2ccc(Cl)cc2)c(F)cc1Cc1c[nH]c2ncccc12.Fc1cc(OCc2ccccc2)c(F)cc1Cc1c[nH]c2ncccc12.

What is the InChIKey of 3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol?

The InChIKey is RUDCMHQMFIQAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClF2N2OSi.C30H36F2N2OSi.C23H30F2N2OSi.C21H15ClF2N2O.C21H16F2N2O/c1-19(2)37(20(3)4,21(5)6)35-17-24(26-8-7-13-34-30(26)35)14-23-15-28(33)29(16-27(23)32)36-18-22-9-11-25(31)12-10-22;1-20(2)36(21(3)4,22(5)6)34-18-25(26-13-10-14-33-30(26)34)15-24-16-28(32)29(17-27(24)31)35-19-23-11-8-7-9-12-23;1-14(2)29(15(3)4,16(5)6)27-13-18(19-8-7-9-26-23(19)27)10-17-11-21(25)22(28)12-20(17)24;22-16-5-3-13(4-6-16)12-27-20-10-18(23)14(9-19(20)24)8-15-11-26-21-17(15)2-1-7-25-21;22-18-11-20(26-13-14-5-2-1-3-6-14)19(23)10-15(18)9-16-12-25-21-17(16)7-4-8-24-21/h7-13,15-17,19-21H,14,18H2,1-6H3;7-14,16-18,20-22H,15,19H2,1-6H3;7-9,11-16,28H,10H2,1-6H3;1-7,9-11H,8,12H2,(H,25,26);1-8,10-12H,9,13H2,(H,24,25).

What are the key properties of 3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol?

3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol has a molecular weight of 2199.64 g/mol, XLogP of 34.98, 34 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;2,5-difluoro-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol is sourced from PubChem (CID 160729433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).