sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide

C116H135BrCl5N20NaO10Si2 — CID 167703019

About sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide

sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide (PubChem CID 167703019) has the molecular formula C116H135BrCl5N20NaO10Si2 and a molecular weight of 2305.82 g/mol. Its IUPAC name is sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide.

Molecular Properties

• Compound Name: sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide
• PubChem CID: 167703019
• Molecular Formula: C116H135BrCl5N20NaO10Si2
• Molecular Weight: 2305.82 g/mol
• Exact Mass: 2300.77
• IUPAC Name: sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide
• SMILES: C1CCNCC1.CC(C)(C)[Si](C)(C)n1ccc2c(Cl)ccnc21.CCOC(=O)c1cnc2c(ccn2[Si](C)(C)C(C)(C)C)c1Cl.COc1ccc(-n2ccc3c(NCc4ccccc4)c(C(=O)N4CCCCC4)cnc32)cc1.COc1ccc(Br)cc1.Clc1ccnc2[nH]ccc12.O=C(O)c1cnc2[nH]ccc2c1Cl.O=C(c1cnc2[nH]ccc2c1Cl)N1CCCCC1.O=C(c1cnc2[nH]ccc2c1NCc1ccccc1)N1CCCCC1.[Na+].[OH-]
• InChI: InChI=1S/C27H28N4O2.C20H22N4O.C16H23ClN2O2Si.C13H14ClN3O.C13H19ClN2Si.C8H5ClN2O2.C7H7BrO.C7H5ClN2.C5H11N.Na.H2O/c1-33-22-12-10-21(11-13-22)31-17-14-23-25(28-18-20-8-4-2-5-9-20)24(19-29-26(23)31)27(32)30-15-6-3-7-16-30;25-20(24-11-5-2-6-12-24)17-14-23-19-16(9-10-21-19)18(17)22-13-15-7-3-1-4-8-15;1-7-21-15(20)12-10-18-14-11(13(12)17)8-9-19(14)22(5,6)16(2,3)4;14-11-9-4-5-15-12(9)16-8-10(11)13(18)17-6-2-1-3-7-17;1-13(2,3)17(4,5)16-9-7-10-11(14)6-8-15-12(10)16;9-6-4-1-2-10-7(4)11-3-5(6)8(12)13;1-9-7-4-2-6(8)3-5-7;8-6-2-4-10-7-5(6)1-3-9-7;1-2-4-6-5-3-1;;/h2,4-5,8-14,17,19H,3,6-7,15-16,18H2,1H3,(H,28,29);1,3-4,7-10,14H,2,5-6,11-13H2,(H2,21,22,23);8-10H,7H2,1-6H3;4-5,8H,1-3,6-7H2,(H,15,16);6-9H,1-5H3;1-3H,(H,10,11)(H,12,13);2-5H,1H3;1-4H,(H,9,10);6H,1-5H2;;1H2/q;;;;;;;;;+1;/p-1
• InChIKey: YRICRJZGSVKLKY-UHFFFAOYSA-M
• XLogP: 25.35
• TPSA: 377.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2305.82
LogP ≤ 5	25.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide?

The IUPAC name of sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide (CID 167703019) is sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide.

What is the SMILES notation for sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide?

The canonical SMILES for sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide is C1CCNCC1.CC(C)(C)[Si](C)(C)n1ccc2c(Cl)ccnc21.CCOC(=O)c1cnc2c(ccn2[Si](C)(C)C(C)(C)C)c1Cl.COc1ccc(-n2ccc3c(NCc4ccccc4)c(C(=O)N4CCCCC4)cnc32)cc1.COc1ccc(Br)cc1.Clc1ccnc2[nH]ccc12.O=C(O)c1cnc2[nH]ccc2c1Cl.O=C(c1cnc2[nH]ccc2c1Cl)N1CCCCC1.O=C(c1cnc2[nH]ccc2c1NCc1ccccc1)N1CCCCC1.[Na+].[OH-].

What is the InChIKey of sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide?

The InChIKey is YRICRJZGSVKLKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H28N4O2.C20H22N4O.C16H23ClN2O2Si.C13H14ClN3O.C13H19ClN2Si.C8H5ClN2O2.C7H7BrO.C7H5ClN2.C5H11N.Na.H2O/c1-33-22-12-10-21(11-13-22)31-17-14-23-25(28-18-20-8-4-2-5-9-20)24(19-29-26(23)31)27(32)30-15-6-3-7-16-30;25-20(24-11-5-2-6-12-24)17-14-23-19-16(9-10-21-19)18(17)22-13-15-7-3-1-4-8-15;1-7-21-15(20)12-10-18-14-11(13(12)17)8-9-19(14)22(5,6)16(2,3)4;14-11-9-4-5-15-12(9)16-8-10(11)13(18)17-6-2-1-3-7-17;1-13(2,3)17(4,5)16-9-7-10-11(14)6-8-15-12(10)16;9-6-4-1-2-10-7(4)11-3-5(6)8(12)13;1-9-7-4-2-6(8)3-5-7;8-6-2-4-10-7-5(6)1-3-9-7;1-2-4-6-5-3-1;;/h2,4-5,8-14,17,19H,3,6-7,15-16,18H2,1H3,(H,28,29);1,3-4,7-10,14H,2,5-6,11-13H2,(H2,21,22,23);8-10H,7H2,1-6H3;4-5,8H,1-3,6-7H2,(H,15,16);6-9H,1-5H3;1-3H,(H,10,11)(H,12,13);2-5H,1H3;1-4H,(H,9,10);6H,1-5H2;;1H2/q;;;;;;;;;+1;/p-1.

What are the key properties of sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide?

sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide has a molecular weight of 2305.82 g/mol, XLogP of 25.35, 17 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-bromo-4-methoxybenzene;tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone;ethyl 1-[tert-butyl(dimethyl)silyl]-4-chloropyrrolo[2,3-b]pyridine-5-carboxylate;piperidine;hydroxide is sourced from PubChem (CID 167703019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).