[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;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

C146H195BrF3N17OSi5 — CID 161120503

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;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-(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;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 161120503) has the molecular formula C146H195BrF3N17OSi5 and a molecular weight of 2481.61 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;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-(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;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: 161120503
• Molecular Formula: C146H195BrF3N17OSi5
• Molecular Weight: 2481.61 g/mol
• Exact Mass: 2478.37
• 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;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.CN(C)Cc1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C33H39F3N2OSi.C31H40N2Si.C23H31BrN2Si.C23H33N3Si.C19H33N3Si.C10H13N3.C7H6N2/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;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/h7-16,18,21-24H,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;3-6H,7H2,1-2H3,(H,11,12);1-5H,(H,8,9)
• InChIKey: UKWRSSLFMHEKEH-UHFFFAOYSA-N
• XLogP: 39.41
• TPSA: 196.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 39
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2481.61
LogP ≤ 5	39.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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;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-(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;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 161120503) 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;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-(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;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-(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;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.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;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 UKWRSSLFMHEKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39F3N2OSi.C31H40N2Si.C23H31BrN2Si.C23H33N3Si.C19H33N3Si.C10H13N3.C7H6N2/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;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/h7-16,18,21-24H,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;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;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-(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;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 2481.61 g/mol, XLogP of 39.41, 39 rotatable bonds, 3 hydrogen bond donors, and 16 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;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 161120503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).