[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline

C129H176BrF3N12OSi5 — CID 123223508

About [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline

[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline (PubChem CID 123223508) has the molecular formula C129H176BrF3N12OSi5 and a molecular weight of 2188.24 g/mol. Its IUPAC name is [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline.

Molecular Properties

• Compound Name: [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline
• PubChem CID: 123223508
• Molecular Formula: C129H176BrF3N12OSi5
• Molecular Weight: 2188.24 g/mol
• Exact Mass: 2185.21
• IUPAC Name: [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(CN(C)C)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(Br)cc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(CC(=O)Cc3cccc(C(F)(F)F)c3)cc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(CCc3ccccc3)cc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(N)cc2)c2cccnc21
• InChI: InChI=1S/C33H39F3N2OSi.C31H40N2Si.C23H31BrN2Si.C23H33N3Si.C19H33N3Si/c1-22(2)40(23(3)4,24(5)6)38-21-28(31-11-8-16-37-32(31)38)17-25-12-14-26(15-13-25)19-30(39)20-27-9-7-10-29(18-27)33(34,35)36;1-23(2)34(24(3)4,25(5)6)33-22-29(30-13-10-20-32-31(30)33)21-28-18-16-27(17-19-28)15-14-26-11-8-7-9-12-26;2*1-16(2)27(17(3)4,18(5)6)26-15-20(22-8-7-13-25-23(22)26)14-19-9-11-21(24)12-10-19;1-14(2)23(15(3)4,16(5)6)22-13-17(12-21(7)8)18-10-9-11-20-19(18)22/h7-16,18,21-24H,17,19-20H2,1-6H3;7-13,16-20,22-25H,14-15,21H2,1-6H3;7-13,15-18H,14H2,1-6H3;7-13,15-18H,14,24H2,1-6H3;9-11,13-16H,12H2,1-8H3
• InChIKey: RQFYJGTXKWYUDP-UHFFFAOYSA-N
• XLogP: 36.23
• TPSA: 135.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 37
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2188.24
LogP ≤ 5	36.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline?

The IUPAC name of [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline (CID 123223508) is [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline.

What is the SMILES notation for [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline?

The canonical SMILES for [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline is CC(C)[Si](C(C)C)(C(C)C)n1cc(CN(C)C)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(Br)cc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(CC(=O)Cc3cccc(C(F)(F)F)c3)cc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(CCc3ccccc3)cc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(N)cc2)c2cccnc21.

What is the InChIKey of [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline?

The InChIKey is RQFYJGTXKWYUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39F3N2OSi.C31H40N2Si.C23H31BrN2Si.C23H33N3Si.C19H33N3Si/c1-22(2)40(23(3)4,24(5)6)38-21-28(31-11-8-16-37-32(31)38)17-25-12-14-26(15-13-25)19-30(39)20-27-9-7-10-29(18-27)33(34,35)36;1-23(2)34(24(3)4,25(5)6)33-22-29(30-13-10-20-32-31(30)33)21-28-18-16-27(17-19-28)15-14-26-11-8-7-9-12-26;2*1-16(2)27(17(3)4,18(5)6)26-15-20(22-8-7-13-25-23(22)26)14-19-9-11-21(24)12-10-19;1-14(2)23(15(3)4,16(5)6)22-13-17(12-21(7)8)18-10-9-11-20-19(18)22/h7-16,18,21-24H,17,19-20H2,1-6H3;7-13,16-20,22-25H,14-15,21H2,1-6H3;7-13,15-18H,14H2,1-6H3;7-13,15-18H,14,24H2,1-6H3;9-11,13-16H,12H2,1-8H3.

What are the key properties of [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline?

[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline has a molecular weight of 2188.24 g/mol, XLogP of 36.23, 37 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[3-(trifluoromethyl)phenyl]-3-[4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propan-2-one;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline is sourced from PubChem (CID 123223508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).