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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde

C114H183BrCl3N21O12Si4 — CID 167584111

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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde

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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde (PubChem CID 167584111) has the molecular formula C114H183BrCl3N21O12Si4 and a molecular weight of 2338.46 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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde.

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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde
• PubChem CID: 167584111
• Molecular Formula: C114H183BrCl3N21O12Si4
• Molecular Weight: 2338.46 g/mol
• Exact Mass: 2334.17
• 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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc3[nH]cc(CC4CCCC4)c23)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc3c2c(CC2CCCC2)cn3COCC[Si](C)(C)C)C1.C[Si](C)(C)CCOCn1cc(Br)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(C(O)C2CCCC2)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(CC2CCCC2)c2c(Cl)ncnc21.O=CC1CCCC1
• InChI: InChI=1S/C28H47N5O3Si.C22H33N5O2.C18H28ClN3O2Si.C18H28ClN3OSi.C12H17BrClN3OSi.C10H20N2O2.C6H10O/c1-28(2,3)36-27(34)32-13-9-12-23(18-32)31-25-24-22(16-21-10-7-8-11-21)17-33(26(24)30-19-29-25)20-35-14-15-37(4,5)6;1-22(2,3)29-21(28)27-10-6-9-17(13-27)26-20-18-16(11-15-7-4-5-8-15)12-23-19(18)24-14-25-20;1-25(2,3)9-8-24-12-22-10-14(16(23)13-6-4-5-7-13)15-17(19)20-11-21-18(15)22;1-24(2,3)9-8-23-13-22-11-15(10-14-6-4-5-7-14)16-17(19)20-12-21-18(16)22;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;7-5-6-3-1-2-4-6/h17,19,21,23H,7-16,18,20H2,1-6H3,(H,29,30,31);12,14-15,17H,4-11,13H2,1-3H3,(H2,23,24,25,26);10-11,13,16,23H,4-9,12H2,1-3H3;11-12,14H,4-10,13H2,1-3H3;6-7H,4-5,8H2,1-3H3;8H,4-7,11H2,1-3H3;5-6H,1-4H2/t23-;17-;;;;8-;/m11...1./s1
• InChIKey: HODUCHUPEDQMKK-KCVVDXLVSA-N
• XLogP: 27.42
• TPSA: 377.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 33
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2338.46
LogP ≤ 5	27.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde?

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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde (CID 167584111) 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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde.

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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde?

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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde is CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc3[nH]cc(CC4CCCC4)c23)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc3c2c(CC2CCCC2)cn3COCC[Si](C)(C)C)C1.C[Si](C)(C)CCOCn1cc(Br)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(C(O)C2CCCC2)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(CC2CCCC2)c2c(Cl)ncnc21.O=CC1CCCC1.

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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde?

The InChIKey is HODUCHUPEDQMKK-KCVVDXLVSA-N. The full InChI is InChI=1S/C28H47N5O3Si.C22H33N5O2.C18H28ClN3O2Si.C18H28ClN3OSi.C12H17BrClN3OSi.C10H20N2O2.C6H10O/c1-28(2,3)36-27(34)32-13-9-12-23(18-32)31-25-24-22(16-21-10-7-8-11-21)17-33(26(24)30-19-29-25)20-35-14-15-37(4,5)6;1-22(2,3)29-21(28)27-10-6-9-17(13-27)26-20-18-16(11-15-7-4-5-8-15)12-23-19(18)24-14-25-20;1-25(2,3)9-8-24-12-22-10-14(16(23)13-6-4-5-7-13)15-17(19)20-11-21-18(15)22;1-24(2,3)9-8-23-13-22-11-15(10-14-6-4-5-7-14)16-17(19)20-12-21-18(16)22;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;7-5-6-3-1-2-4-6/h17,19,21,23H,7-16,18,20H2,1-6H3,(H,29,30,31);12,14-15,17H,4-11,13H2,1-3H3,(H2,23,24,25,26);10-11,13,16,23H,4-9,12H2,1-3H3;11-12,14H,4-10,13H2,1-3H3;6-7H,4-5,8H2,1-3H3;8H,4-7,11H2,1-3H3;5-6H,1-4H2/t23-;17-;;;;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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde?

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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde has a molecular weight of 2338.46 g/mol, XLogP of 27.42, 33 rotatable bonds, 5 hydrogen bond donors, and 29 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-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(cyclopentylmethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(cyclopentylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanol;cyclopentanecarbaldehyde is sourced from PubChem (CID 167584111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).