7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile

C91H105N27O4Si2+2 — CID 157138155

About 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile

7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile (PubChem CID 157138155) has the molecular formula C91H105N27O4Si2+2 and a molecular weight of 1697.20 g/mol. Its IUPAC name is 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile.

Molecular Properties

• Compound Name: 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
• PubChem CID: 157138155
• Molecular Formula: C91H105N27O4Si2+2
• Molecular Weight: 1697.20 g/mol
• Exact Mass: 1695.84
• IUPAC Name: 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
• SMILES: CO[n+]1cccc2cc[nH]c21.C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)[C@H]4CCC(c5ccc6cc[nH]c6n5)C4)c3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)[C@H]4CCNC4)c3)ncnc21.N#CCC([C@H]1CCC(c2ccc3cc[nH]c3n2)C1)n1cc(-c2ncnc3[nH]ccc23)cn1.O[n+]1cccc2cc[nH]c21
• InChI: InChI=1S/C30H36N8OSi.C24H22N8.C22H31N7OSi.C8H8N2O.C7H6N2O/c1-40(2,3)15-14-39-20-37-13-10-25-28(33-19-34-30(25)37)24-17-35-38(18-24)27(8-11-31)23-5-4-22(16-23)26-7-6-21-9-12-32-29(21)36-26;25-8-5-21(17-2-1-16(11-17)20-4-3-15-6-9-26-23(15)31-20)32-13-18(12-30-32)22-19-7-10-27-24(19)29-14-28-22;1-31(2,3)11-10-30-16-28-9-6-19-21(25-15-26-22(19)28)18-13-27-29(14-18)20(4-7-23)17-5-8-24-12-17;1-11-10-6-2-3-7-4-5-9-8(7)10;10-9-5-1-2-6-3-4-8-7(6)9/h6-7,9-10,12-13,17-19,22-23,27H,4-5,8,14-16,20H2,1-3H3,(H,32,36);3-4,6-7,9-10,12-14,16-17,21H,1-2,5,11H2,(H,26,31)(H,27,28,29);6,9,13-15,17,20,24H,4-5,8,10-12,16H2,1-3H3;2-6H,1H3;1-5,10H/p+2/t22?,23-,27?;16?,17-,21?;17-,20?;;/m000../s1
• InChIKey: BGWDGCLBLNKCPG-FIXWGOCUSA-P
• XLogP: 16.14
• TPSA: 384.47 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1697.20
LogP ≤ 5	16.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?

The IUPAC name of 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile (CID 157138155) is 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile.

What is the SMILES notation for 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?

The canonical SMILES for 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile is CO[n+]1cccc2cc[nH]c21.C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)[C@H]4CCC(c5ccc6cc[nH]c6n5)C4)c3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)[C@H]4CCNC4)c3)ncnc21.N#CCC([C@H]1CCC(c2ccc3cc[nH]c3n2)C1)n1cc(-c2ncnc3[nH]ccc23)cn1.O[n+]1cccc2cc[nH]c21.

What is the InChIKey of 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?

The InChIKey is BGWDGCLBLNKCPG-FIXWGOCUSA-P. The full InChI is InChI=1S/C30H36N8OSi.C24H22N8.C22H31N7OSi.C8H8N2O.C7H6N2O/c1-40(2,3)15-14-39-20-37-13-10-25-28(33-19-34-30(25)37)24-17-35-38(18-24)27(8-11-31)23-5-4-22(16-23)26-7-6-21-9-12-32-29(21)36-26;25-8-5-21(17-2-1-16(11-17)20-4-3-15-6-9-26-23(15)31-20)32-13-18(12-30-32)22-19-7-10-27-24(19)29-14-28-22;1-31(2,3)11-10-30-16-28-9-6-19-21(25-15-26-22(19)28)18-13-27-29(14-18)20(4-7-23)17-5-8-24-12-17;1-11-10-6-2-3-7-4-5-9-8(7)10;10-9-5-1-2-6-3-4-8-7(6)9/h6-7,9-10,12-13,17-19,22-23,27H,4-5,8,14-16,20H2,1-3H3,(H,32,36);3-4,6-7,9-10,12-14,16-17,21H,1-2,5,11H2,(H,26,31)(H,27,28,29);6,9,13-15,17,20,24H,4-5,8,10-12,16H2,1-3H3;2-6H,1H3;1-5,10H/p+2/t22?,23-,27?;16?,17-,21?;17-,20?;;/m000../s1.

What are the key properties of 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?

7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile has a molecular weight of 1697.20 g/mol, XLogP of 16.14, 25 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;7-methoxy-1H-pyrrolo[2,3-b]pyridin-7-ium;3-[(3S)-pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-[(1S)-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopentyl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 157138155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).