5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane

C133H159BBr2ClN17O17S2 — CID 163745911

About 5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane

5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane (PubChem CID 163745911) has the molecular formula C133H159BBr2ClN17O17S2 and a molecular weight of 2538.04 g/mol. Its IUPAC name is 5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane.

Molecular Properties

• Compound Name: 5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane
• PubChem CID: 163745911
• Molecular Formula: C133H159BBr2ClN17O17S2
• Molecular Weight: 2538.04 g/mol
• Exact Mass: 2533.97
• IUPAC Name: 5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane
• SMILES: Brc1ccc(N2CCC(c3ccc(OCCN4CCOCC4)cc3)CC2)nc1.C1CCOCC1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC(c6ccc(OCCN7CCOCC7)cc6)CC5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.ClCCOc1ccc(C2CCN(c3ccc(Br)cn3)CC2)cc1.Cn1cc(-c2ccc(N3CCC(c4ccc(OCCN5CCOCC5)cc4)CC3)nc2)c2cc[nH]c2c1=O
• InChI: InChI=1S/C37H41N5O5S.C30H35N5O3.C22H28BrN3O2.C21H25BN2O5S.C18H20BrClN2O.C5H10O/c1-27-3-10-32(11-4-27)48(44,45)42-18-15-33-34(26-39(2)37(43)36(33)42)30-7-12-35(38-25-30)41-16-13-29(14-17-41)28-5-8-31(9-6-28)47-24-21-40-19-22-46-23-20-40;1-33-21-27(26-8-11-31-29(26)30(33)36)24-4-7-28(32-20-24)35-12-9-23(10-13-35)22-2-5-25(6-3-22)38-19-16-34-14-17-37-18-15-34;23-20-3-6-22(24-17-20)26-9-7-19(8-10-26)18-1-4-21(5-2-18)28-16-13-25-11-14-27-15-12-25;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;19-16-3-6-18(21-13-16)22-10-7-15(8-11-22)14-1-4-17(5-2-14)23-12-9-20;1-2-4-6-5-3-1/h3-12,15,18,25-26,29H,13-14,16-17,19-24H2,1-2H3;2-8,11,20-21,23,31H,9-10,12-19H2,1H3;1-6,17,19H,7-16H2;7-13H,1-6H3;1-6,13,15H,7-12H2;1-5H2
• InChIKey: LLVQHKYMQDRMLF-UHFFFAOYSA-N
• XLogP: 21.22
• TPSA: 326.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2538.04
LogP ≤ 5	21.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane?

The IUPAC name of 5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane (CID 163745911) is 5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane.

What is the SMILES notation for 5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane?

The canonical SMILES for 5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane is Brc1ccc(N2CCC(c3ccc(OCCN4CCOCC4)cc3)CC2)nc1.C1CCOCC1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC(c6ccc(OCCN7CCOCC7)cc6)CC5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.ClCCOc1ccc(C2CCN(c3ccc(Br)cn3)CC2)cc1.Cn1cc(-c2ccc(N3CCC(c4ccc(OCCN5CCOCC5)cc4)CC3)nc2)c2cc[nH]c2c1=O.

What is the InChIKey of 5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane?

The InChIKey is LLVQHKYMQDRMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N5O5S.C30H35N5O3.C22H28BrN3O2.C21H25BN2O5S.C18H20BrClN2O.C5H10O/c1-27-3-10-32(11-4-27)48(44,45)42-18-15-33-34(26-39(2)37(43)36(33)42)30-7-12-35(38-25-30)41-16-13-29(14-17-41)28-5-8-31(9-6-28)47-24-21-40-19-22-46-23-20-40;1-33-21-27(26-8-11-31-29(26)30(33)36)24-4-7-28(32-20-24)35-12-9-23(10-13-35)22-2-5-25(6-3-22)38-19-16-34-14-17-37-18-15-34;23-20-3-6-22(24-17-20)26-9-7-19(8-10-26)18-1-4-21(5-2-18)28-16-13-25-11-14-27-15-12-25;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;19-16-3-6-18(21-13-16)22-10-7-15(8-11-22)14-1-4-17(5-2-14)23-12-9-20;1-2-4-6-5-3-1/h3-12,15,18,25-26,29H,13-14,16-17,19-24H2,1-2H3;2-8,11,20-21,23,31H,9-10,12-19H2,1H3;1-6,17,19H,7-16H2;7-13H,1-6H3;1-6,13,15H,7-12H2;1-5H2.

What are the key properties of 5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane?

5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane has a molecular weight of 2538.04 g/mol, XLogP of 21.22, 30 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]pyridine;4-[2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]ethyl]morpholine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;oxane is sourced from PubChem (CID 163745911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).