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

C113H156BrN15Si4 — CID 161026515

About [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;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-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline (PubChem CID 161026515) has the molecular formula C113H156BrN15Si4 and a molecular weight of 1916.84 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-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;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-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline
• PubChem CID: 161026515
• Molecular Formula: C113H156BrN15Si4
• Molecular Weight: 1916.84 g/mol
• Exact Mass: 1914.09
• IUPAC Name: [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;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(CCc3ccccc3)cc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(N)cc2)c2cccnc21.CN(C)Cc1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C31H40N2Si.C23H31BrN2Si.C23H33N3Si.C19H33N3Si.C10H13N3.C7H6N2/c1-23(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;1-13(2)7-8-6-12-10-9(8)4-3-5-11-10;1-2-6-3-5-9-7(6)8-4-1/h7-13,16-20,22-25H,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;3-6H,7H2,1-2H3,(H,11,12);1-5H,(H,8,9)
• InChIKey: TZAXSIPKCARCRD-UHFFFAOYSA-N
• XLogP: 30.39
• TPSA: 161.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 29
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1916.84
LogP ≤ 5	30.39
H-Bond Donors ≤ 5	3
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-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;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-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline (CID 161026515) is [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;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-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;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-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;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(CCc3ccccc3)cc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(N)cc2)c2cccnc21.CN(C)Cc1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1.

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-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline?

The InChIKey is TZAXSIPKCARCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2Si.C23H31BrN2Si.C23H33N3Si.C19H33N3Si.C10H13N3.C7H6N2/c1-23(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;1-13(2)7-8-6-12-10-9(8)4-3-5-11-10;1-2-6-3-5-9-7(6)8-4-1/h7-13,16-20,22-25H,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;3-6H,7H2,1-2H3,(H,11,12);1-5H,(H,8,9).

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-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;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-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline has a molecular weight of 1916.84 g/mol, XLogP of 30.39, 29 rotatable bonds, 3 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-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;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;1H-pyrrolo[2,3-b]pyridine;4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline is sourced from PubChem (CID 161026515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).