3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride

C121H183Br2Cl6N17O12Si5 — CID 161413712

About 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride

3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride (PubChem CID 161413712) has the molecular formula C121H183Br2Cl6N17O12Si5 and a molecular weight of 2580.86 g/mol. Its IUPAC name is 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride
• PubChem CID: 161413712
• Molecular Formula: C121H183Br2Cl6N17O12Si5
• Molecular Weight: 2580.86 g/mol
• Exact Mass: 2573.96
• IUPAC Name: 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccnc3c2c(CC2CC2)cn3COCC[Si](C)(C)C)C1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1cc(Br)c2c(Cl)ccnc21.C[Si](C)(C)CCOCn1cc(C(O)C2CC2)c2c(Cl)ccnc21.C[Si](C)(C)CCOCn1cc(CC2CC2)c2c(Cl)ccnc21.Clc1ccnc2[nH]cc(Br)c12.O=CC1CC1.c1cc(NC2CCCCC2)c2c(CC3CC3)c[nH]c2n1
• InChI: InChI=1S/C27H44N4O3Si.C17H25ClN2O2Si.C17H25ClN2OSi.C17H23N3.C13H18BrClN2OSi.C10H20N2O2.C7H4BrClN2.C6H15ClOSi.C4H6O.C3H3ClO/c1-27(2,3)34-26(32)30-13-7-8-22(18-30)29-23-11-12-28-25-24(23)21(16-20-9-10-20)17-31(25)19-33-14-15-35(4,5)6;1-23(2,3)9-8-22-11-20-10-13(16(21)12-4-5-12)15-14(18)6-7-19-17(15)20;1-22(2,3)9-8-21-12-20-11-14(10-13-4-5-13)16-15(18)6-7-19-17(16)20;1-2-4-14(5-3-1)20-15-8-9-18-17-16(15)13(11-19-17)10-12-6-7-12;1-19(2,3)7-6-18-9-17-8-10(14)12-11(15)4-5-16-13(12)17;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;8-4-3-11-7-6(4)5(9)1-2-10-7;1-9(2,3)5-4-8-6-7;5-3-4-1-2-4;1-2-3(4)5/h11-12,17,20,22H,7-10,13-16,18-19H2,1-6H3,(H,28,29);6-7,10,12,16,21H,4-5,8-9,11H2,1-3H3;6-7,11,13H,4-5,8-10,12H2,1-3H3;8-9,11-12,14H,1-7,10H2,(H2,18,19,20);4-5,8H,6-7,9H2,1-3H3;8H,4-7,11H2,1-3H3;1-3H,(H,10,11);4-6H2,1-3H3;3-4H,1-2H2;2H,1H2/t22-;;;;;8-;;;;/m1....1..../s1
• InChIKey: VVUNZAKYXRJBEM-PGCXLHSPSA-N
• XLogP: 32.93
• TPSA: 338.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2580.86
LogP ≤ 5	32.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride?

The IUPAC name of 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride (CID 161413712) is 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride.

What is the SMILES notation for 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride?

The canonical SMILES for 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride is C=CC(=O)Cl.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccnc3c2c(CC2CC2)cn3COCC[Si](C)(C)C)C1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1cc(Br)c2c(Cl)ccnc21.C[Si](C)(C)CCOCn1cc(C(O)C2CC2)c2c(Cl)ccnc21.C[Si](C)(C)CCOCn1cc(CC2CC2)c2c(Cl)ccnc21.Clc1ccnc2[nH]cc(Br)c12.O=CC1CC1.c1cc(NC2CCCCC2)c2c(CC3CC3)c[nH]c2n1.

What is the InChIKey of 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride?

The InChIKey is VVUNZAKYXRJBEM-PGCXLHSPSA-N. The full InChI is InChI=1S/C27H44N4O3Si.C17H25ClN2O2Si.C17H25ClN2OSi.C17H23N3.C13H18BrClN2OSi.C10H20N2O2.C7H4BrClN2.C6H15ClOSi.C4H6O.C3H3ClO/c1-27(2,3)34-26(32)30-13-7-8-22(18-30)29-23-11-12-28-25-24(23)21(16-20-9-10-20)17-31(25)19-33-14-15-35(4,5)6;1-23(2,3)9-8-22-11-20-10-13(16(21)12-4-5-12)15-14(18)6-7-19-17(15)20;1-22(2,3)9-8-21-12-20-11-14(10-13-4-5-13)16-15(18)6-7-19-17(16)20;1-2-4-14(5-3-1)20-15-8-9-18-17-16(15)13(11-19-17)10-12-6-7-12;1-19(2,3)7-6-18-9-17-8-10(14)12-11(15)4-5-16-13(12)17;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;8-4-3-11-7-6(4)5(9)1-2-10-7;1-9(2,3)5-4-8-6-7;5-3-4-1-2-4;1-2-3(4)5/h11-12,17,20,22H,7-10,13-16,18-19H2,1-6H3,(H,28,29);6-7,10,12,16,21H,4-5,8-9,11H2,1-3H3;6-7,11,13H,4-5,8-10,12H2,1-3H3;8-9,11-12,14H,1-7,10H2,(H2,18,19,20);4-5,8H,6-7,9H2,1-3H3;8H,4-7,11H2,1-3H3;1-3H,(H,10,11);4-6H2,1-3H3;3-4H,1-2H2;2H,1H2/t22-;;;;;8-;;;;/m1....1..../s1.

What are the key properties of 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride?

3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride has a molecular weight of 2580.86 g/mol, XLogP of 32.93, 38 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(3-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-3-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-cyclopropylmethanol;N-cyclohexyl-3-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;cyclopropanecarbaldehyde;prop-2-enoyl chloride is sourced from PubChem (CID 161413712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).