4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride

C150H171B4BrFIN20O15S2 — CID 160937727

About 4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride

4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride (PubChem CID 160937727) has the molecular formula C150H171B4BrFIN20O15S2 and a molecular weight of 2827.33 g/mol. Its IUPAC name is 4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride.

Molecular Properties

• Compound Name: 4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride
• PubChem CID: 160937727
• Molecular Formula: C150H171B4BrFIN20O15S2
• Molecular Weight: 2827.33 g/mol
• Exact Mass: 2825.13
• IUPAC Name: 4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride
• SMILES: C#CC#CC.C#CC#CC#CC#CC.C#CC#CC#CC#CC.C#CC#CC#CC#CC#C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCC[N+](CCCC)(CCCC)CCCC.Cc1ccc(S(=O)(=O)n2cc(-c3cc(C#N)n(C)c3)c3c(N4CCOCC4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3c(N4CCOCC4)ccnc32)cc1.Cn1cc(-c2c[nH]c3nccc(N4CCOCC4)c23)cc1C#N.Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C#N.Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C#N.Cn1cc(Br)cc1C#N.[F-]
• InChI: InChI=1S/C24H23N5O3S.C18H18IN3O3S.C17H17N5O.C16H36N.C12H24B2O4.2C12H17BN2O2.C10H2.2C9H4.C6H5BrN2.C5H4.FH/c1-17-3-5-20(6-4-17)33(30,31)29-16-21(18-13-19(14-25)27(2)15-18)23-22(7-8-26-24(23)29)28-9-11-32-12-10-28;1-13-2-4-14(5-3-13)26(23,24)22-12-15(19)17-16(6-7-20-18(17)22)21-8-10-25-11-9-21;1-21-11-12(8-13(21)9-18)14-10-20-17-16(14)15(2-3-19-17)22-4-6-23-7-5-22;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*1-11(2)12(3,4)17-13(16-11)9-6-10(7-14)15(5)8-9;1-3-5-7-9-10-8-6-4-2;2*1-3-5-7-9-8-6-4-2;1-9-4-5(7)2-6(9)3-8;1-3-5-4-2;/h3-8,13,15-16H,9-12H2,1-2H3;2-7,12H,8-11H2,1H3;2-3,8,10-11H,4-7H2,1H3,(H,19,20);5-16H2,1-4H3;1-8H3;2*6,8H,1-5H3;1-2H;2*1H,2H3;2,4H,1H3;1H,2H3;1H/q;;;+1;;;;;;;;;/p-1
• InChIKey: SUCFEGATUHUTDX-UHFFFAOYSA-M
• XLogP: 19.11
• TPSA: 387.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2827.33
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride?

The IUPAC name of 4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride (CID 160937727) is 4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride.

What is the SMILES notation for 4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride?

The canonical SMILES for 4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride is C#CC#CC.C#CC#CC#CC#CC.C#CC#CC#CC#CC.C#CC#CC#CC#CC#C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCC[N+](CCCC)(CCCC)CCCC.Cc1ccc(S(=O)(=O)n2cc(-c3cc(C#N)n(C)c3)c3c(N4CCOCC4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3c(N4CCOCC4)ccnc32)cc1.Cn1cc(-c2c[nH]c3nccc(N4CCOCC4)c23)cc1C#N.Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C#N.Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C#N.Cn1cc(Br)cc1C#N.[F-].

What is the InChIKey of 4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride?

The InChIKey is SUCFEGATUHUTDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H23N5O3S.C18H18IN3O3S.C17H17N5O.C16H36N.C12H24B2O4.2C12H17BN2O2.C10H2.2C9H4.C6H5BrN2.C5H4.FH/c1-17-3-5-20(6-4-17)33(30,31)29-16-21(18-13-19(14-25)27(2)15-18)23-22(7-8-26-24(23)29)28-9-11-32-12-10-28;1-13-2-4-14(5-3-13)26(23,24)22-12-15(19)17-16(6-7-20-18(17)22)21-8-10-25-11-9-21;1-21-11-12(8-13(21)9-18)14-10-20-17-16(14)15(2-3-19-17)22-4-6-23-7-5-22;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*1-11(2)12(3,4)17-13(16-11)9-6-10(7-14)15(5)8-9;1-3-5-7-9-10-8-6-4-2;2*1-3-5-7-9-8-6-4-2;1-9-4-5(7)2-6(9)3-8;1-3-5-4-2;/h3-8,13,15-16H,9-12H2,1-2H3;2-7,12H,8-11H2,1H3;2-3,8,10-11H,4-7H2,1H3,(H,19,20);5-16H2,1-4H3;1-8H3;2*6,8H,1-5H3;1-2H;2*1H,2H3;2,4H,1H3;1H,2H3;1H/q;;;+1;;;;;;;;;/p-1.

What are the key properties of 4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride?

4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride has a molecular weight of 2827.33 g/mol, XLogP of 19.11, 24 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-methylpyrrole-2-carbonitrile;deca-1,3,5,7,9-pentayne;4-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]morpholine;1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyrrole-2-carbonitrile;1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile;bis(1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile);bis(nona-1,3,5,7-tetrayne);penta-1,3-diyne;tetrabutylazanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;fluoride is sourced from PubChem (CID 160937727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).