2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide

C128H202BrCl4N25O15Si5 — CID 158384130

About 2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide

2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide (PubChem CID 158384130) has the molecular formula C128H202BrCl4N25O15Si5 and a molecular weight of 2693.33 g/mol. Its IUPAC name is 2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide.

Molecular Properties

• Compound Name: 2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide
• PubChem CID: 158384130
• Molecular Formula: C128H202BrCl4N25O15Si5
• Molecular Weight: 2693.33 g/mol
• Exact Mass: 2688.26
• IUPAC Name: 2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc3[nH]cc(CC4CCC4)c23)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc3c2c(CC2CCC2)cn3COCC[Si](C)(C)C)C1.CON(C)C(=O)C1CCC1.C[Si](C)(C)CCOCn1cc(Br)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(C(=O)C2CCC2)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(C(O)C2CCC2)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(CC2CCC2)c2c(Cl)ncnc21
• InChI: InChI=1S/C27H45N5O3Si.C21H31N5O2.C17H26ClN3O2Si.C17H24ClN3O2Si.C17H26ClN3OSi.C12H17BrClN3OSi.C10H20N2O2.C7H13NO2/c1-27(2,3)35-26(33)31-12-8-11-22(17-31)30-24-23-21(15-20-9-7-10-20)16-32(25(23)29-18-28-24)19-34-13-14-36(4,5)6;1-21(2,3)28-20(27)26-9-5-8-16(12-26)25-19-17-15(10-14-6-4-7-14)11-22-18(17)23-13-24-19;2*1-24(2,3)8-7-23-11-21-9-13(15(22)12-5-4-6-12)14-16(18)19-10-20-17(14)21;1-23(2,3)8-7-22-12-21-10-14(9-13-5-4-6-13)15-16(18)19-11-20-17(15)21;1-19(2,3)5-4-18-8-17-6-9(13)10-11(14)15-7-16-12(10)17;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-8(10-2)7(9)6-4-3-5-6/h16,18,20,22H,7-15,17,19H2,1-6H3,(H,28,29,30);11,13-14,16H,4-10,12H2,1-3H3,(H2,22,23,24,25);9-10,12,15,22H,4-8,11H2,1-3H3;9-10,12H,4-8,11H2,1-3H3;10-11,13H,4-9,12H2,1-3H3;6-7H,4-5,8H2,1-3H3;8H,4-7,11H2,1-3H3;6H,3-5H2,1-2H3/t22-;16-;;;;;8-;/m11....1./s1
• InChIKey: GWDWEVPOVNMUPG-DARIRORDSA-N
• XLogP: 29.67
• TPSA: 446.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 41
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2693.33
LogP ≤ 5	29.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide?

The IUPAC name of 2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide (CID 158384130) is 2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide.

What is the SMILES notation for 2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide?

The canonical SMILES for 2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide is CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc3[nH]cc(CC4CCC4)c23)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc3c2c(CC2CCC2)cn3COCC[Si](C)(C)C)C1.CON(C)C(=O)C1CCC1.C[Si](C)(C)CCOCn1cc(Br)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(C(=O)C2CCC2)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(C(O)C2CCC2)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(CC2CCC2)c2c(Cl)ncnc21.

What is the InChIKey of 2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide?

The InChIKey is GWDWEVPOVNMUPG-DARIRORDSA-N. The full InChI is InChI=1S/C27H45N5O3Si.C21H31N5O2.C17H26ClN3O2Si.C17H24ClN3O2Si.C17H26ClN3OSi.C12H17BrClN3OSi.C10H20N2O2.C7H13NO2/c1-27(2,3)35-26(33)31-12-8-11-22(17-31)30-24-23-21(15-20-9-7-10-20)16-32(25(23)29-18-28-24)19-34-13-14-36(4,5)6;1-21(2,3)28-20(27)26-9-5-8-16(12-26)25-19-17-15(10-14-6-4-7-14)11-22-18(17)23-13-24-19;2*1-24(2,3)8-7-23-11-21-9-13(15(22)12-5-4-6-12)14-16(18)19-10-20-17(14)21;1-23(2,3)8-7-22-12-21-10-14(9-13-5-4-6-13)15-16(18)19-11-20-17(15)21;1-19(2,3)5-4-18-8-17-6-9(13)10-11(14)15-7-16-12(10)17;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-8(10-2)7(9)6-4-3-5-6/h16,18,20,22H,7-15,17,19H2,1-6H3,(H,28,29,30);11,13-14,16H,4-10,12H2,1-3H3,(H2,22,23,24,25);9-10,12,15,22H,4-8,11H2,1-3H3;9-10,12H,4-8,11H2,1-3H3;10-11,13H,4-9,12H2,1-3H3;6-7H,4-5,8H2,1-3H3;8H,4-7,11H2,1-3H3;6H,3-5H2,1-2H3/t22-;16-;;;;;8-;/m11....1./s1.

What are the key properties of 2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide?

2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide has a molecular weight of 2693.33 g/mol, XLogP of 29.67, 41 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclobutylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclobutylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanol;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;N-methoxy-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 158384130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).