2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol

C57H77ClN12O8Si2 — CID 167634299

About 2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol

2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol (PubChem CID 167634299) has the molecular formula C57H77ClN12O8Si2 and a molecular weight of 1149.94 g/mol. Its IUPAC name is 2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

• Compound Name: 2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol
• PubChem CID: 167634299
• Molecular Formula: C57H77ClN12O8Si2
• Molecular Weight: 1149.94 g/mol
• Exact Mass: 1148.52
• IUPAC Name: 2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol
• SMILES: C[Si](C)(C)CCOCn1ccc2c(Cl)c(-c3ncco3)cnc21.C[Si](C)(C)CCOCn1ccc2c(N[C@@H]3CC[C@H](O)C3)c(-c3ncco3)cnc21.N[C@@H]1CC[C@H](O)C1.O[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)C1
• InChI: InChI=1S/C21H30N4O3Si.C16H20ClN3O2Si.C15H16N4O2.C5H11NO/c1-29(2,3)11-10-27-14-25-8-6-17-19(24-15-4-5-16(26)12-15)18(13-23-20(17)25)21-22-7-9-28-21;1-23(2,3)9-8-21-11-20-6-4-12-14(17)13(10-19-15(12)20)16-18-5-7-22-16;20-10-2-1-9(7-10)19-13-11-3-4-16-14(11)18-8-12(13)15-17-5-6-21-15;6-4-1-2-5(7)3-4/h6-9,13,15-16,26H,4-5,10-12,14H2,1-3H3,(H,23,24);4-7,10H,8-9,11H2,1-3H3;3-6,8-10,20H,1-2,7H2,(H2,16,18,19);4-5,7H,1-3,6H2/t15-,16+;;9-,10+;4-,5+/m1.11/s1
• InChIKey: OGFLECWKEBUETR-MTAPWGSRSA-N
• XLogP: 11.39
• TPSA: 271.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1149.94
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'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-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol?

The IUPAC name of 2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol (CID 167634299) is 2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol.

What is the SMILES notation for 2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol?

The canonical SMILES for 2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol is C[Si](C)(C)CCOCn1ccc2c(Cl)c(-c3ncco3)cnc21.C[Si](C)(C)CCOCn1ccc2c(N[C@@H]3CC[C@H](O)C3)c(-c3ncco3)cnc21.N[C@@H]1CC[C@H](O)C1.O[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)C1.

What is the InChIKey of 2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol?

The InChIKey is OGFLECWKEBUETR-MTAPWGSRSA-N. The full InChI is InChI=1S/C21H30N4O3Si.C16H20ClN3O2Si.C15H16N4O2.C5H11NO/c1-29(2,3)11-10-27-14-25-8-6-17-19(24-15-4-5-16(26)12-15)18(13-23-20(17)25)21-22-7-9-28-21;1-23(2,3)9-8-21-11-20-6-4-12-14(17)13(10-19-15(12)20)16-18-5-7-22-16;20-10-2-1-9(7-10)19-13-11-3-4-16-14(11)18-8-12(13)15-17-5-6-21-15;6-4-1-2-5(7)3-4/h6-9,13,15-16,26H,4-5,10-12,14H2,1-3H3,(H,23,24);4-7,10H,8-9,11H2,1-3H3;3-6,8-10,20H,1-2,7H2,(H2,16,18,19);4-5,7H,1-3,6H2/t15-,16+;;9-,10+;4-,5+/m1.11/s1.

What are the key properties of 2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol?

2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 1149.94 g/mol, XLogP of 11.39, 17 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;cis-(1S,3R)-3-aminocyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol;cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 167634299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).