4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium

C52H45Br4N8O10S3UVW- — CID 158427674

IUPAC4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium
SMILESCOc1ncc(Br)c2cc[nH]c12.COc1ncc(Br)c2ccn(S(=O)(=O)c3ccc(C)cc3)c12.Cc1ccc(S(=O)(=O)n2ccc3c(Br)c[nH]c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Br)cn(C)c(=O)c32)cc1.[3H-].[U].[V].[W]
InChIInChI=1S/2C15H13BrN2O3S.C14H11BrN2O3S.C8H7BrN2O.U.V.W.H/c1-10-3-5-11(6-4-10)22(19,20)18-8-7-12-13(16)9-17-15(21-2)14(12)18;1-10-3-5-11(6-4-10)22(20,21)18-8-7-12-13(16)9-17(2)15(19)14(12)18;1-9-2-4-10(5-3-9)21(19,20)17-7-6-11-12(15)8-16-14(18)13(11)17;1-12-8-7-5(2-3-10-7)6(9)4-11-8;;;;/h2*3-9H,1-2H3;2-8H,1H3,(H,16,18);2-4,10H,1H3;;;;/q;;;;;;;-1/i;;;;;;;1+2
InChIKeyDYRKUFUOTHVMEW-BHLIMWMTSA-N
MW1832.62 g/mol
LogP11.08
Rot. Bonds8

About 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium

4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium (PubChem CID 158427674) has the molecular formula C52H45Br4N8O10S3UVW- and a molecular weight of 1832.62 g/mol. Its IUPAC name is 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium.

Molecular Properties

Compound Name4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium
PubChem CID158427674
Molecular FormulaC52H45Br4N8O10S3UVW-
Molecular Weight1832.62 g/mol
Exact Mass1827.87
IUPAC Name4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium
SMILESCOc1ncc(Br)c2cc[nH]c12.COc1ncc(Br)c2ccn(S(=O)(=O)c3ccc(C)cc3)c12.Cc1ccc(S(=O)(=O)n2ccc3c(Br)c[nH]c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Br)cn(C)c(=O)c32)cc1.[3H-].[U].[V].[W]
InChIInChI=1S/2C15H13BrN2O3S.C14H11BrN2O3S.C8H7BrN2O.U.V.W.H/c1-10-3-5-11(6-4-10)22(19,20)18-8-7-12-13(16)9-17-15(21-2)14(12)18;1-10-3-5-11(6-4-10)22(20,21)18-8-7-12-13(16)9-17(2)15(19)14(12)18;1-9-2-4-10(5-3-9)21(19,20)17-7-6-11-12(15)8-16-14(18)13(11)17;1-12-8-7-5(2-3-10-7)6(9)4-11-8;;;;/h2*3-9H,1-2H3;2-8H,1H3,(H,16,18);2-4,10H,1H3;;;;/q;;;;;;;-1/i;;;;;;;1+2
InChIKeyDYRKUFUOTHVMEW-BHLIMWMTSA-N
XLogP11.08
TPSA232.10 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms80
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001832.62
LogP ≤ 511.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium?
The IUPAC name of 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium (CID 158427674) is 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium.
What is the SMILES notation for 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium?
The canonical SMILES for 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium is COc1ncc(Br)c2cc[nH]c12.COc1ncc(Br)c2ccn(S(=O)(=O)c3ccc(C)cc3)c12.Cc1ccc(S(=O)(=O)n2ccc3c(Br)c[nH]c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Br)cn(C)c(=O)c32)cc1.[3H-].[U].[V].[W].
What is the InChIKey of 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium?
The InChIKey is DYRKUFUOTHVMEW-BHLIMWMTSA-N. The full InChI is InChI=1S/2C15H13BrN2O3S.C14H11BrN2O3S.C8H7BrN2O.U.V.W.H/c1-10-3-5-11(6-4-10)22(19,20)18-8-7-12-13(16)9-17-15(21-2)14(12)18;1-10-3-5-11(6-4-10)22(20,21)18-8-7-12-13(16)9-17(2)15(19)14(12)18;1-9-2-4-10(5-3-9)21(19,20)17-7-6-11-12(15)8-16-14(18)13(11)17;1-12-8-7-5(2-3-10-7)6(9)4-11-8;;;;/h2*3-9H,1-2H3;2-8H,1H3,(H,16,18);2-4,10H,1H3;;;;/q;;;;;;;-1/i;;;;;;;1+2.
What are the key properties of 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium?
4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium has a molecular weight of 1832.62 g/mol, XLogP of 11.08, 8 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium is sourced from PubChem (CID 158427674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).