4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C91H91BBr4Cl4FN17O19S4 — CID 158783810

IUPAC4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(CN3C(=O)c4ccccc4C3=O)c3c2ccn3S(=O)(=O)C2CC2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CO.Cc1ncc(Br)c2ccn(S(=O)(=O)C3CC3)c12.ClC(Cl)(Cl)Cl.NN.O=C1NC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1Cc1ncc(Br)c2ccn(S(=O)(=O)C3CC3)c12.O=S(=O)(C1CC1)n1ccc2c(Br)cnc(CBr)c21.[2H]CF
InChIInChI=1S/C26H21N5O5S.C19H14BrN3O4S.C13H19BN2O3.C11H10Br2N2O2S.C11H11BrN2O2S.C8H5NO2.CCl4.CH3F.CH4O.H4N2/c1-15(32)29-23-12-16(8-10-27-23)21-13-28-22(14-30-25(33)19-4-2-3-5-20(19)26(30)34)24-18(21)9-11-31(24)37(35,36)17-6-7-17;20-15-9-21-16(10-22-18(24)12-3-1-2-4-13(12)19(22)25)17-14(15)7-8-23(17)28(26,27)11-5-6-11;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;12-5-10-11-8(9(13)6-14-10)3-4-15(11)18(16,17)7-1-2-7;1-7-11-9(10(12)6-13-7)4-5-14(11)17(15,16)8-2-3-8;10-7-5-3-1-2-4-6(5)8(11)9-7;2-1(3,4)5;3*1-2/h2-5,8-13,17H,6-7,14H2,1H3,(H,27,29,32);1-4,7-9,11H,5-6,10H2;6-8H,1-5H3,(H,15,16,17);3-4,6-7H,1-2,5H2;4-6,8H,2-3H2,1H3;1-4H,(H,9,10,11);;1H3;2H,1H3;1-2H2/i;;;;;;;1D;;
InChIKeyIRKOHHDRFBYQQC-SPKVUICESA-N
MW2347.34 g/mol
LogP15.09
Rot. Bonds17

About 4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 158783810) has the molecular formula C91H91BBr4Cl4FN17O19S4 and a molecular weight of 2347.34 g/mol. Its IUPAC name is 4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
PubChem CID158783810
Molecular FormulaC91H91BBr4Cl4FN17O19S4
Molecular Weight2347.34 g/mol
Exact Mass2340.12
IUPAC Name4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(CN3C(=O)c4ccccc4C3=O)c3c2ccn3S(=O)(=O)C2CC2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CO.Cc1ncc(Br)c2ccn(S(=O)(=O)C3CC3)c12.ClC(Cl)(Cl)Cl.NN.O=C1NC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1Cc1ncc(Br)c2ccn(S(=O)(=O)C3CC3)c12.O=S(=O)(C1CC1)n1ccc2c(Br)cnc(CBr)c21.[2H]CF
InChIInChI=1S/C26H21N5O5S.C19H14BrN3O4S.C13H19BN2O3.C11H10Br2N2O2S.C11H11BrN2O2S.C8H5NO2.CCl4.CH3F.CH4O.H4N2/c1-15(32)29-23-12-16(8-10-27-23)21-13-28-22(14-30-25(33)19-4-2-3-5-20(19)26(30)34)24-18(21)9-11-31(24)37(35,36)17-6-7-17;20-15-9-21-16(10-22-18(24)12-3-1-2-4-13(12)19(22)25)17-14(15)7-8-23(17)28(26,27)11-5-6-11;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;12-5-10-11-8(9(13)6-14-10)3-4-15(11)18(16,17)7-1-2-7;1-7-11-9(10(12)6-13-7)4-5-14(11)17(15,16)8-2-3-8;10-7-5-3-1-2-4-6(5)8(11)9-7;2-1(3,4)5;3*1-2/h2-5,8-13,17H,6-7,14H2,1H3,(H,27,29,32);1-4,7-9,11H,5-6,10H2;6-8H,1-5H3,(H,15,16,17);3-4,6-7H,1-2,5H2;4-6,8H,2-3H2,1H3;1-4H,(H,9,10,11);;1H3;2H,1H3;1-2H2/i;;;;;;;1D;;
InChIKeyIRKOHHDRFBYQQC-SPKVUICESA-N
XLogP15.09
TPSA503.48 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds17
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002347.34
LogP ≤ 515.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of 4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 158783810) is 4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(CN3C(=O)c4ccccc4C3=O)c3c2ccn3S(=O)(=O)C2CC2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CO.Cc1ncc(Br)c2ccn(S(=O)(=O)C3CC3)c12.ClC(Cl)(Cl)Cl.NN.O=C1NC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1Cc1ncc(Br)c2ccn(S(=O)(=O)C3CC3)c12.O=S(=O)(C1CC1)n1ccc2c(Br)cnc(CBr)c21.[2H]CF.
What is the InChIKey of 4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?
The InChIKey is IRKOHHDRFBYQQC-SPKVUICESA-N. The full InChI is InChI=1S/C26H21N5O5S.C19H14BrN3O4S.C13H19BN2O3.C11H10Br2N2O2S.C11H11BrN2O2S.C8H5NO2.CCl4.CH3F.CH4O.H4N2/c1-15(32)29-23-12-16(8-10-27-23)21-13-28-22(14-30-25(33)19-4-2-3-5-20(19)26(30)34)24-18(21)9-11-31(24)37(35,36)17-6-7-17;20-15-9-21-16(10-22-18(24)12-3-1-2-4-13(12)19(22)25)17-14(15)7-8-23(17)28(26,27)11-5-6-11;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;12-5-10-11-8(9(13)6-14-10)3-4-15(11)18(16,17)7-1-2-7;1-7-11-9(10(12)6-13-7)4-5-14(11)17(15,16)8-2-3-8;10-7-5-3-1-2-4-6(5)8(11)9-7;2-1(3,4)5;3*1-2/h2-5,8-13,17H,6-7,14H2,1H3,(H,27,29,32);1-4,7-9,11H,5-6,10H2;6-8H,1-5H3,(H,15,16,17);3-4,6-7H,1-2,5H2;4-6,8H,2-3H2,1H3;1-4H,(H,9,10,11);;1H3;2H,1H3;1-2H2/i;;;;;;;1D;;.
What are the key properties of 4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?
4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 2347.34 g/mol, XLogP of 15.09, 17 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 158783810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).