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
Data last refreshed: (MolForge compound catalog, from PubChem)
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 Name | 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 |
| Molecular Formula | C75H70N16O15S4 |
| Molecular Weight | 1563.75 g/mol |
| Exact Mass | 1562.41 |
| IUPAC Name | 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 |
| SMILES | 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 |
| InChI | 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) |
| InChIKey | LVPXUHGLBPGRPJ-UHFFFAOYSA-N |
| XLogP | 11.94 |
| TPSA | 403.49 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 110 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1563.75 |
| LogP ≤ 5 | 11.94 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 27 |
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).
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Sources
- PubChem CID 159469549 — identifiers, structure, computed properties (public domain)
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