(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide)

C156H251B3Br3IN22O28S6Si4 — CID 167575966

About (5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide)

(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide) (PubChem CID 167575966) has the molecular formula C156H251B3Br3IN22O28S6Si4 and a molecular weight of 3586.65 g/mol. Its IUPAC name is (5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide).

Molecular Properties

• Compound Name: (5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide)
• PubChem CID: 167575966
• Molecular Formula: C156H251B3Br3IN22O28S6Si4
• Molecular Weight: 3586.65 g/mol
• Exact Mass: 3581.32
• IUPAC Name: (5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide)
• SMILES: CC.CC.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(I)c(Br)cnc21.CCCS(=O)(=O)N(C(=O)OC(C)(C)C)C1CC(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)C1.CCCS(=O)(=O)N(C(=O)OC(C)(C)C)C1CC(C(=O)c2c(Br)cnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)C1.CCCS(=O)(=O)N(C(=O)OC(C)(C)C)C1CC(C(O)c2c(Br)cnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)C1.CCCS(=O)(=O)N(C(=O)OC(C)(C)C)C1CC(C=O)C1.CCCS(=O)(=O)NC1CC(C2=NNB(O)c3cnc4[nH]ccc4c32)C1.CCCS(=O)(=O)NC1CC(C2=NNB(O)c3cnc4[nH]ccc4c32)C1
• InChI: InChI=1S/C35H58BN3O7SSi.C29H48BrN3O5SSi.C29H46BrN3O5SSi.C16H24BrIN2Si.2C15H20BN5O3S.C13H23NO5S.2C2H6/c1-15-18-47(42,43)39(32(41)44-33(8,9)10)26-19-25(20-26)30(40)29-27-16-17-38(48(22(2)3,23(4)5)24(6)7)31(27)37-21-28(29)36-45-34(11,12)35(13,14)46-36;2*1-11-14-39(36,37)33(28(35)38-29(8,9)10)22-15-21(16-22)26(34)25-23-12-13-32(27(23)31-17-24(25)30)40(18(2)3,19(4)5)20(6)7;1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(18)14(17)9-19-16(13)20;2*1-2-5-25(23,24)20-10-6-9(7-10)14-13-11-3-4-17-15(11)18-8-12(13)16(22)21-19-14;1-5-6-20(17,18)14(11-7-10(8-11)9-15)12(16)19-13(2,3)4;2*1-2/h16-17,21-26H,15,18-20H2,1-14H3;12-13,17-22,26,34H,11,14-16H2,1-10H3;12-13,17-22H,11,14-16H2,1-10H3;7-12H,1-6H3;2*3-4,8-10,20-22H,2,5-7H2,1H3,(H,17,18);9-11H,5-8H2,1-4H3;2*1-2H3
• InChIKey: GNNLMKMUGDONDX-UHFFFAOYSA-N
• XLogP: 32.42
• TPSA: 654.84 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 50
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3586.65
LogP ≤ 5	32.42
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide)?

The IUPAC name of (5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide) (CID 167575966) is (5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide).

What is the SMILES notation for (5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide)?

The canonical SMILES for (5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide) is CC.CC.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(I)c(Br)cnc21.CCCS(=O)(=O)N(C(=O)OC(C)(C)C)C1CC(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)C1.CCCS(=O)(=O)N(C(=O)OC(C)(C)C)C1CC(C(=O)c2c(Br)cnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)C1.CCCS(=O)(=O)N(C(=O)OC(C)(C)C)C1CC(C(O)c2c(Br)cnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)C1.CCCS(=O)(=O)N(C(=O)OC(C)(C)C)C1CC(C=O)C1.CCCS(=O)(=O)NC1CC(C2=NNB(O)c3cnc4[nH]ccc4c32)C1.CCCS(=O)(=O)NC1CC(C2=NNB(O)c3cnc4[nH]ccc4c32)C1.

What is the InChIKey of (5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide)?

The InChIKey is GNNLMKMUGDONDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H58BN3O7SSi.C29H48BrN3O5SSi.C29H46BrN3O5SSi.C16H24BrIN2Si.2C15H20BN5O3S.C13H23NO5S.2C2H6/c1-15-18-47(42,43)39(32(41)44-33(8,9)10)26-19-25(20-26)30(40)29-27-16-17-38(48(22(2)3,23(4)5)24(6)7)31(27)37-21-28(29)36-45-34(11,12)35(13,14)46-36;2*1-11-14-39(36,37)33(28(35)38-29(8,9)10)22-15-21(16-22)26(34)25-23-12-13-32(27(23)31-17-24(25)30)40(18(2)3,19(4)5)20(6)7;1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(18)14(17)9-19-16(13)20;2*1-2-5-25(23,24)20-10-6-9(7-10)14-13-11-3-4-17-15(11)18-8-12(13)16(22)21-19-14;1-5-6-20(17,18)14(11-7-10(8-11)9-15)12(16)19-13(2,3)4;2*1-2/h16-17,21-26H,15,18-20H2,1-14H3;12-13,17-22,26,34H,11,14-16H2,1-10H3;12-13,17-22H,11,14-16H2,1-10H3;7-12H,1-6H3;2*3-4,8-10,20-22H,2,5-7H2,1H3,(H,17,18);9-11H,5-8H2,1-4H3;2*1-2H3.

What are the key properties of (5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide)?

(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide) has a molecular weight of 3586.65 g/mol, XLogP of 32.42, 50 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[3-[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-[3-[[5-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]cyclobutyl]-N-propylsulfonylcarbamate;tert-butyl N-(3-formylcyclobutyl)-N-propylsulfonylcarbamate;tert-butyl N-propylsulfonyl-N-[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclobutyl]carbamate;ethane;bis(N-[3-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]propane-1-sulfonamide) is sourced from PubChem (CID 167575966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).