4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine

C97H91B2Cl2IN16O14S6 — CID 159684603

About 4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine

4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine (PubChem CID 159684603) has the molecular formula C97H91B2Cl2IN16O14S6 and a molecular weight of 2116.73 g/mol. Its IUPAC name is 4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine
• PubChem CID: 159684603
• Molecular Formula: C97H91B2Cl2IN16O14S6
• Molecular Weight: 2116.73 g/mol
• Exact Mass: 2114.38
• IUPAC Name: 4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine
• SMILES: Cc1ccc(S(=O)(=O)n2cc(-c3cccnc3N3CCOCC3)c3c(-c4ccsc4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cccnc3N3CCOCC3)c3c(Cl)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3c(Cl)ccnc32)cc1.OB(O)c1cccnc1N1CCOCC1.OB(O)c1ccsc1.c1cnc(N2CCOCC2)c(-c2c[nH]c3nccc(-c4ccsc4)c23)c1
• InChI: InChI=1S/C27H24N4O3S2.C23H21ClN4O3S.C20H18N4OS.C14H10ClIN2O2S.C9H13BN2O3.C4H5BO2S/c1-19-4-6-21(7-5-19)36(32,33)31-17-24(23-3-2-10-28-26(23)30-12-14-34-15-13-30)25-22(8-11-29-27(25)31)20-9-16-35-18-20;1-16-4-6-17(7-5-16)32(29,30)28-15-19(21-20(24)8-10-26-23(21)28)18-3-2-9-25-22(18)27-11-13-31-14-12-27;1-2-16(20(22-5-1)24-7-9-25-10-8-24)17-12-23-19-18(17)15(3-6-21-19)14-4-11-26-13-14;1-9-2-4-10(5-3-9)21(19,20)18-8-12(16)13-11(15)6-7-17-14(13)18;13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12;6-5(7)4-1-2-8-3-4/h2-11,16-18H,12-15H2,1H3;2-10,15H,11-14H2,1H3;1-6,11-13H,7-10H2,(H,21,23);2-8H,1H3;1-3,13-14H,4-7H2;1-3,6-7H
• InChIKey: MVPZQFZKJZQNMG-UHFFFAOYSA-N
• XLogP: 15.40
• TPSA: 366.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 17
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2116.73
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine?

The IUPAC name of 4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine (CID 159684603) is 4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine.

What is the SMILES notation for 4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine?

The canonical SMILES for 4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine is Cc1ccc(S(=O)(=O)n2cc(-c3cccnc3N3CCOCC3)c3c(-c4ccsc4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cccnc3N3CCOCC3)c3c(Cl)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3c(Cl)ccnc32)cc1.OB(O)c1cccnc1N1CCOCC1.OB(O)c1ccsc1.c1cnc(N2CCOCC2)c(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.

What is the InChIKey of 4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine?

The InChIKey is MVPZQFZKJZQNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3S2.C23H21ClN4O3S.C20H18N4OS.C14H10ClIN2O2S.C9H13BN2O3.C4H5BO2S/c1-19-4-6-21(7-5-19)36(32,33)31-17-24(23-3-2-10-28-26(23)30-12-14-34-15-13-30)25-22(8-11-29-27(25)31)20-9-16-35-18-20;1-16-4-6-17(7-5-16)32(29,30)28-15-19(21-20(24)8-10-26-23(21)28)18-3-2-9-25-22(18)27-11-13-31-14-12-27;1-2-16(20(22-5-1)24-7-9-25-10-8-24)17-12-23-19-18(17)15(3-6-21-19)14-4-11-26-13-14;1-9-2-4-10(5-3-9)21(19,20)18-8-12(16)13-11(15)6-7-17-14(13)18;13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12;6-5(7)4-1-2-8-3-4/h2-11,16-18H,12-15H2,1H3;2-10,15H,11-14H2,1H3;1-6,11-13H,7-10H2,(H,21,23);2-8H,1H3;1-3,13-14H,4-7H2;1-3,6-7H.

What are the key properties of 4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine?

4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine has a molecular weight of 2116.73 g/mol, XLogP of 15.40, 17 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-[3-[1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;(2-morpholin-4-yl-3-pyridinyl)boronic acid;thiophen-3-ylboronic acid;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 159684603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).