N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate

C75H70N16O15S4 — CID 159469549

IUPACN-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2)ccn1.CCc1ncc(-c2ccnc(NC(C)=O)c2)c2ccn(S(C)(=O)=O)c12.COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2)ccn1.COC(=O)Nc1cc(-c2cnc(OC)c3c2ccn3S(C)(=O)=O)ccn1
InChIInChI=1S/C21H18N4O4S.C21H18N4O3S.C17H18N4O3S.C16H16N4O5S/c1-14-20-17(9-11-25(20)30(27,28)16-6-4-3-5-7-16)18(13-23-14)15-8-10-22-19(12-15)24-21(26)29-2;1-14-21-18(9-11-25(21)29(27,28)17-6-4-3-5-7-17)19(13-23-14)16-8-10-22-20(12-16)24-15(2)26;1-4-15-17-13(6-8-21(17)25(3,23)24)14(10-19-15)12-5-7-18-16(9-12)20-11(2)22;1-24-15-14-11(5-7-20(14)26(3,22)23)12(9-18-15)10-4-6-17-13(8-10)19-16(21)25-2/h3-13H,1-2H3,(H,22,24,26);3-13H,1-2H3,(H,22,24,26);5-10H,4H2,1-3H3,(H,18,20,22);4-9H,1-3H3,(H,17,19,21)
InChIKeyLVPXUHGLBPGRPJ-UHFFFAOYSA-N
MW1563.75 g/mol
LogP11.94
Rot. Bonds16

About N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate

N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (PubChem CID 159469549) has the molecular formula C75H70N16O15S4 and a molecular weight of 1563.75 g/mol. Its IUPAC name is N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound NameN-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
PubChem CID159469549
Molecular FormulaC75H70N16O15S4
Molecular Weight1563.75 g/mol
Exact Mass1562.41
IUPAC NameN-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2)ccn1.CCc1ncc(-c2ccnc(NC(C)=O)c2)c2ccn(S(C)(=O)=O)c12.COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2)ccn1.COC(=O)Nc1cc(-c2cnc(OC)c3c2ccn3S(C)(=O)=O)ccn1
InChIInChI=1S/C21H18N4O4S.C21H18N4O3S.C17H18N4O3S.C16H16N4O5S/c1-14-20-17(9-11-25(20)30(27,28)16-6-4-3-5-7-16)18(13-23-14)15-8-10-22-19(12-15)24-21(26)29-2;1-14-21-18(9-11-25(21)29(27,28)17-6-4-3-5-7-17)19(13-23-14)16-8-10-22-20(12-16)24-15(2)26;1-4-15-17-13(6-8-21(17)25(3,23)24)14(10-19-15)12-5-7-18-16(9-12)20-11(2)22;1-24-15-14-11(5-7-20(14)26(3,22)23)12(9-18-15)10-4-6-17-13(8-10)19-16(21)25-2/h3-13H,1-2H3,(H,22,24,26);3-13H,1-2H3,(H,22,24,26);5-10H,4H2,1-3H3,(H,18,20,22);4-9H,1-3H3,(H,17,19,21)
InChIKeyLVPXUHGLBPGRPJ-UHFFFAOYSA-N
XLogP11.94
TPSA403.49 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001563.75
LogP ≤ 511.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate with MolForge

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Related Compounds

US10202373, Example 4C
CID 118246564
ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate
CID 90882378
ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate
CID 91444909
N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[3-(3-methylbut-1-ynyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 157954073
N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methoxypyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
CID 161687112

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The IUPAC name of N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (CID 159469549) is N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The canonical SMILES for N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is CC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2)ccn1.CCc1ncc(-c2ccnc(NC(C)=O)c2)c2ccn(S(C)(=O)=O)c12.COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2)ccn1.COC(=O)Nc1cc(-c2cnc(OC)c3c2ccn3S(C)(=O)=O)ccn1.
What is the InChIKey of N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The InChIKey is LVPXUHGLBPGRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S.C21H18N4O3S.C17H18N4O3S.C16H16N4O5S/c1-14-20-17(9-11-25(20)30(27,28)16-6-4-3-5-7-16)18(13-23-14)15-8-10-22-19(12-15)24-21(26)29-2;1-14-21-18(9-11-25(21)29(27,28)17-6-4-3-5-7-17)19(13-23-14)16-8-10-22-20(12-16)24-15(2)26;1-4-15-17-13(6-8-21(17)25(3,23)24)14(10-19-15)12-5-7-18-16(9-12)20-11(2)22;1-24-15-14-11(5-7-20(14)26(3,22)23)12(9-18-15)10-4-6-17-13(8-10)19-16(21)25-2/h3-13H,1-2H3,(H,22,24,26);3-13H,1-2H3,(H,22,24,26);5-10H,4H2,1-3H3,(H,18,20,22);4-9H,1-3H3,(H,17,19,21).
What are the key properties of N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate has a molecular weight of 1563.75 g/mol, XLogP of 11.94, 16 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(7-ethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 159469549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).