tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C116H171N17O13SSi4 — CID 161312244

About tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 161312244) has the molecular formula C116H171N17O13SSi4 and a molecular weight of 2156.16 g/mol. Its IUPAC name is tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 161312244
• Molecular Formula: C116H171N17O13SSi4
• Molecular Weight: 2156.16 g/mol
• Exact Mass: 2154.20
• IUPAC Name: tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• SMILES: C.CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1.CC(C)(C)OC(=O)N1CC=C(c2cn(COCC[Si](C)(C)C)c3ncccc23)CC1.CC(C)(C)OC(=O)N1CCC(c2cn(COCC[Si](C)(C)C)c3ncccc23)CC1.CC(C)Oc1ccc(S(=O)(=O)N2CCC(c3cn(COCC[Si](C)(C)C)c4ncccc34)CC2)cc1.C[Si](C)(C)CCOCn1cc(C2CCNCC2)c2cccnc21.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C27H39N3O4SSi.C23H37N3O3Si.C23H35N3O3Si.C18H29N3OSi.C17H21N3O2.C7H6N2.CH4/c1-21(2)34-23-8-10-24(11-9-23)35(31,32)30-15-12-22(13-16-30)26-19-29(20-33-17-18-36(3,4)5)27-25(26)7-6-14-28-27;2*1-23(2,3)29-22(27)25-12-9-18(10-13-25)20-16-26(17-28-14-15-30(4,5)6)21-19(20)8-7-11-24-21;1-23(2,3)12-11-22-14-21-13-17(15-6-9-19-10-7-15)16-5-4-8-20-18(16)21;1-17(2,3)22-16(21)20-9-6-12(7-10-20)14-11-19-15-13(14)5-4-8-18-15;1-2-6-3-5-9-7(6)8-4-1;/h6-11,14,19,21-22H,12-13,15-18,20H2,1-5H3;7-8,11,16,18H,9-10,12-15,17H2,1-6H3;7-9,11,16H,10,12-15,17H2,1-6H3;4-5,8,13,15,19H,6-7,9-12,14H2,1-3H3;4-6,8,11H,7,9-10H2,1-3H3,(H,18,19);1-5H,(H,8,9);1H4
• InChIKey: VJAVCAVNTOERCZ-UHFFFAOYSA-N
• XLogP: 26.14
• TPSA: 312.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2156.16
LogP ≤ 5	26.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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 tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The IUPAC name of tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 161312244) is tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The canonical SMILES for tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is C.CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1.CC(C)(C)OC(=O)N1CC=C(c2cn(COCC[Si](C)(C)C)c3ncccc23)CC1.CC(C)(C)OC(=O)N1CCC(c2cn(COCC[Si](C)(C)C)c3ncccc23)CC1.CC(C)Oc1ccc(S(=O)(=O)N2CCC(c3cn(COCC[Si](C)(C)C)c4ncccc34)CC2)cc1.C[Si](C)(C)CCOCn1cc(C2CCNCC2)c2cccnc21.c1cnc2[nH]ccc2c1.

What is the InChIKey of tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is VJAVCAVNTOERCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O4SSi.C23H37N3O3Si.C23H35N3O3Si.C18H29N3OSi.C17H21N3O2.C7H6N2.CH4/c1-21(2)34-23-8-10-24(11-9-23)35(31,32)30-15-12-22(13-16-30)26-19-29(20-33-17-18-36(3,4)5)27-25(26)7-6-14-28-27;2*1-23(2,3)29-22(27)25-12-9-18(10-13-25)20-16-26(17-28-14-15-30(4,5)6)21-19(20)8-7-11-24-21;1-23(2,3)12-11-22-14-21-13-17(15-6-9-19-10-7-15)16-5-4-8-20-18(16)21;1-17(2,3)22-16(21)20-9-6-12(7-10-20)14-11-19-15-13(14)5-4-8-18-15;1-2-6-3-5-9-7(6)8-4-1;/h6-11,14,19,21-22H,12-13,15-18,20H2,1-5H3;7-8,11,16,18H,9-10,12-15,17H2,1-6H3;7-9,11,16H,10,12-15,17H2,1-6H3;4-5,8,13,15,19H,6-7,9-12,14H2,1-3H3;4-6,8,11H,7,9-10H2,1-3H3,(H,18,19);1-5H,(H,8,9);1H4.

What are the key properties of tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 2156.16 g/mol, XLogP of 26.14, 29 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;methane;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-[(3-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane;trimethyl-[2-[[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 161312244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).