2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile

C92H129N15O13Si4 — CID 158664315

IUPAC2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
SMILESCC(C)(C)[Si](C)(C)OCCCn1cc(C2=C(O)C(=O)NC2=O)c2cccnc21.CC(C)(C)[Si](C)(C)OCCCn1cc(CC#N)c2cccnc21.CC(C)(C)[Si](C)(C)OCCCn1cc(CC(N)=O)c2cccnc21.CCC(=O)C(=O)CC.CN1C(=O)C(O)=C(c2cn(CCCO[Si](C)(C)C(C)(C)C)c3ncccc23)C1=O.N#CCc1c[nH]c2ncccc12
InChIInChI=1S/C21H29N3O4Si.C20H27N3O4Si.C18H29N3O2Si.C18H27N3OSi.C9H7N3.C6H10O2/c1-21(2,3)29(5,6)28-12-8-11-24-13-15(14-9-7-10-22-18(14)24)16-17(25)20(27)23(4)19(16)26;1-20(2,3)28(4,5)27-11-7-10-23-12-14(13-8-6-9-21-17(13)23)15-16(24)19(26)22-18(15)25;1-18(2,3)24(4,5)23-11-7-10-21-13-14(12-16(19)22)15-8-6-9-20-17(15)21;1-18(2,3)23(4,5)22-13-7-12-21-14-15(9-10-19)16-8-6-11-20-17(16)21;10-4-3-7-6-12-9-8(7)2-1-5-11-9;1-3-5(7)6(8)4-2/h7,9-10,13,25H,8,11-12H2,1-6H3;6,8-9,12H,7,10-11H2,1-5H3,(H2,22,24,25,26);6,8-9,13H,7,10-12H2,1-5H3,(H2,19,22);6,8,11,14H,7,9,12-13H2,1-5H3;1-2,5-6H,3H2,(H,11,12);3-4H2,1-2H3
InChIKeyIDDUHUBEUFKWMG-UHFFFAOYSA-N
MW1765.48 g/mol
LogP17.65
Rot. Bonds29

About 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile

2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile (PubChem CID 158664315) has the molecular formula C92H129N15O13Si4 and a molecular weight of 1765.48 g/mol. Its IUPAC name is 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
PubChem CID158664315
Molecular FormulaC92H129N15O13Si4
Molecular Weight1765.48 g/mol
Exact Mass1763.90
IUPAC Name2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
SMILESCC(C)(C)[Si](C)(C)OCCCn1cc(C2=C(O)C(=O)NC2=O)c2cccnc21.CC(C)(C)[Si](C)(C)OCCCn1cc(CC#N)c2cccnc21.CC(C)(C)[Si](C)(C)OCCCn1cc(CC(N)=O)c2cccnc21.CCC(=O)C(=O)CC.CN1C(=O)C(O)=C(c2cn(CCCO[Si](C)(C)C(C)(C)C)c3ncccc23)C1=O.N#CCc1c[nH]c2ncccc12
InChIInChI=1S/C21H29N3O4Si.C20H27N3O4Si.C18H29N3O2Si.C18H27N3OSi.C9H7N3.C6H10O2/c1-21(2,3)29(5,6)28-12-8-11-24-13-15(14-9-7-10-22-18(14)24)16-17(25)20(27)23(4)19(16)26;1-20(2,3)28(4,5)27-11-7-10-23-12-14(13-8-6-9-21-17(13)23)15-16(24)19(26)22-18(15)25;1-18(2,3)24(4,5)23-11-7-10-21-13-14(12-16(19)22)15-8-6-9-20-17(15)21;1-18(2,3)23(4,5)22-13-7-12-21-14-15(9-10-19)16-8-6-11-20-17(16)21;10-4-3-7-6-12-9-8(7)2-1-5-11-9;1-3-5(7)6(8)4-2/h7,9-10,13,25H,8,11-12H2,1-6H3;6,8-9,12H,7,10-11H2,1-5H3,(H2,22,24,25,26);6,8-9,13H,7,10-12H2,1-5H3,(H2,19,22);6,8,11,14H,7,9,12-13H2,1-5H3;1-2,5-6H,3H2,(H,11,12);3-4H2,1-2H3
InChIKeyIDDUHUBEUFKWMG-UHFFFAOYSA-N
XLogP17.65
TPSA385.70 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001765.48
LogP ≤ 517.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile?
The IUPAC name of 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile (CID 158664315) is 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile is CC(C)(C)[Si](C)(C)OCCCn1cc(C2=C(O)C(=O)NC2=O)c2cccnc21.CC(C)(C)[Si](C)(C)OCCCn1cc(CC#N)c2cccnc21.CC(C)(C)[Si](C)(C)OCCCn1cc(CC(N)=O)c2cccnc21.CCC(=O)C(=O)CC.CN1C(=O)C(O)=C(c2cn(CCCO[Si](C)(C)C(C)(C)C)c3ncccc23)C1=O.N#CCc1c[nH]c2ncccc12.
What is the InChIKey of 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile?
The InChIKey is IDDUHUBEUFKWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4Si.C20H27N3O4Si.C18H29N3O2Si.C18H27N3OSi.C9H7N3.C6H10O2/c1-21(2,3)29(5,6)28-12-8-11-24-13-15(14-9-7-10-22-18(14)24)16-17(25)20(27)23(4)19(16)26;1-20(2,3)28(4,5)27-11-7-10-23-12-14(13-8-6-9-21-17(13)23)15-16(24)19(26)22-18(15)25;1-18(2,3)24(4,5)23-11-7-10-21-13-14(12-16(19)22)15-8-6-9-20-17(15)21;1-18(2,3)23(4,5)22-13-7-12-21-14-15(9-10-19)16-8-6-11-20-17(16)21;10-4-3-7-6-12-9-8(7)2-1-5-11-9;1-3-5(7)6(8)4-2/h7,9-10,13,25H,8,11-12H2,1-6H3;6,8-9,12H,7,10-11H2,1-5H3,(H2,22,24,25,26);6,8-9,13H,7,10-12H2,1-5H3,(H2,19,22);6,8,11,14H,7,9,12-13H2,1-5H3;1-2,5-6H,3H2,(H,11,12);3-4H2,1-2H3.
What are the key properties of 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile?
2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile has a molecular weight of 1765.48 g/mol, XLogP of 17.65, 29 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-1-methylpyrrole-2,5-dione;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxypyrrole-2,5-dione;hexane-3,4-dione;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile is sourced from PubChem (CID 158664315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).