2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile

C94H132BCl5N22O11S3Si4 — CID 157244492

About 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile

2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile (PubChem CID 157244492) has the molecular formula C94H132BCl5N22O11S3Si4 and a molecular weight of 2142.85 g/mol. Its IUPAC name is 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile.

Molecular Properties

• Compound Name: 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile
• PubChem CID: 157244492
• Molecular Formula: C94H132BCl5N22O11S3Si4
• Molecular Weight: 2142.85 g/mol
• Exact Mass: 2138.72
• IUPAC Name: 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1.CCS(=O)(=O)N1CC(=CC#N)C1.CCS(=O)(=O)N1CC(CC#N)(n2cc(Cl)c(-c3ncnc4[nH]ccc34)c2)C1.CCS(=O)(=O)N1CC(CC#N)(n2cc(Cl)c(-c3ncnc4c3ccn4COCC[Si](C)(C)C)c2)C1.C[Si](C)(C)CCOCn1ccc2c(-c3c[nH]cc3Cl)ncnc21.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21
• InChI: InChI=1S/C23H31ClN6O3SSi.C19H35BClNO2Si.C17H17ClN6O2S.C16H21ClN4OSi.C12H18ClN3OSi.C7H10N2O2S/c1-5-34(31,32)30-14-23(15-30,7-8-25)29-12-19(20(24)13-29)21-18-6-9-28(22(18)27-16-26-21)17-33-10-11-35(2,3)4;1-13(2)25(14(3)4,15(5)6)22-11-16(17(21)12-22)20-23-18(7,8)19(9,10)24-20;1-2-27(25,26)24-9-17(10-24,4-5-19)23-7-13(14(18)8-23)15-12-3-6-20-16(12)22-11-21-15;1-23(2,3)7-6-22-11-21-5-4-12-15(19-10-20-16(12)21)13-8-18-9-14(13)17;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;1-2-12(10,11)9-5-7(6-9)3-4-8/h6,9,12-13,16H,5,7,10-11,14-15,17H2,1-4H3;11-15H,1-10H3;3,6-8,11H,2,4,9-10H2,1H3,(H,20,21,22);4-5,8-10,18H,6-7,11H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;3H,2,5-6H2,1H3
• InChIKey: AVPBKGLFVHXNPD-UHFFFAOYSA-N
• XLogP: 19.85
• TPSA: 393.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 33
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2142.85
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile?

The IUPAC name of 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile (CID 157244492) is 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile.

What is the SMILES notation for 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile?

The canonical SMILES for 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile is CC(C)[Si](C(C)C)(C(C)C)n1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1.CCS(=O)(=O)N1CC(=CC#N)C1.CCS(=O)(=O)N1CC(CC#N)(n2cc(Cl)c(-c3ncnc4[nH]ccc34)c2)C1.CCS(=O)(=O)N1CC(CC#N)(n2cc(Cl)c(-c3ncnc4c3ccn4COCC[Si](C)(C)C)c2)C1.C[Si](C)(C)CCOCn1ccc2c(-c3c[nH]cc3Cl)ncnc21.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21.

What is the InChIKey of 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile?

The InChIKey is AVPBKGLFVHXNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN6O3SSi.C19H35BClNO2Si.C17H17ClN6O2S.C16H21ClN4OSi.C12H18ClN3OSi.C7H10N2O2S/c1-5-34(31,32)30-14-23(15-30,7-8-25)29-12-19(20(24)13-29)21-18-6-9-28(22(18)27-16-26-21)17-33-10-11-35(2,3)4;1-13(2)25(14(3)4,15(5)6)22-11-16(17(21)12-22)20-23-18(7,8)19(9,10)24-20;1-2-27(25,26)24-9-17(10-24,4-5-19)23-7-13(14(18)8-23)15-12-3-6-20-16(12)22-11-21-15;1-23(2,3)7-6-22-11-21-5-4-12-15(19-10-20-16(12)21)13-8-18-9-14(13)17;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;1-2-12(10,11)9-5-7(6-9)3-4-8/h6,9,12-13,16H,5,7,10-11,14-15,17H2,1-4H3;11-15H,1-10H3;3,6-8,11H,2,4,9-10H2,1H3,(H,20,21,22);4-5,8-10,18H,6-7,11H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;3H,2,5-6H2,1H3.

What are the key properties of 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile?

2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile has a molecular weight of 2142.85 g/mol, XLogP of 19.85, 33 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[3-[3-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[[4-(4-chloro-1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]-tri(propan-2-yl)silane;2-[3-[3-chloro-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile is sourced from PubChem (CID 157244492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).