C92H88F3N19O13S3 — CID 159495163
N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 159495163) has the molecular formula C92H88F3N19O13S3 and a molecular weight of 1821.03 g/mol. Its IUPAC name is N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide.
| Compound Name | N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide |
|---|---|
| PubChem CID | 159495163 |
| Molecular Formula | C92H88F3N19O13S3 |
| Molecular Weight | 1821.03 g/mol |
| Exact Mass | 1819.59 |
| IUPAC Name | N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide |
| SMILES | CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3ccn(S(=O)(=O)C4CC4)c3c2)ccn1.CC(=O)Nc1cc(-c2cncc(C(=O)/C=C/c3ccc(F)cc3)c2)ccn1.CC(=O)Nc1cc(-c2cncc(N(CC3CC3)S(C)(=O)=O)c2)ccn1.CCc1ncc(-c2ccnc(CC(C)=O)c2)cc1NS(=O)(=O)c1ccc(F)cc1F |
| InChI | InChI=1S/C21H19F2N3O3S.C21H16FN3O2.C17H16N4O3S.C17H20N4O3S.C16H17N5O2/c1-3-19-20(26-30(28,29)21-5-4-16(22)11-18(21)23)10-15(12-25-19)14-6-7-24-17(9-14)8-13(2)27;1-14(26)25-21-11-16(8-9-24-21)17-10-18(13-23-12-17)20(27)7-4-15-2-5-19(22)6-3-15;1-11(22)20-17-9-12(4-6-18-17)13-8-16-15(19-10-13)5-7-21(16)25(23,24)14-2-3-14;1-12(22)20-17-8-14(5-6-19-17)15-7-16(10-18-9-15)21(25(2,23)24)11-13-3-4-13;1-10(22)20-14-8-11(3-4-18-14)12-7-13(15(17)19-9-12)16(23)21-5-2-6-21/h4-7,9-12,26H,3,8H2,1-2H3;2-13H,1H3,(H,24,25,26);4-10,14H,2-3H2,1H3,(H,18,20,22);5-10,13H,3-4,11H2,1-2H3,(H,19,20,22);3-4,7-9H,2,5-6H2,1H3,(H2,17,19)(H,18,20,22)/b;7-4+;;; |
| InChIKey | LYROPFLDFWKOLV-VUWAWBNHSA-N |
| XLogP | 14.26 |
| TPSA | 448.39 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 130 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1821.03 |
| LogP ≤ 5 | 14.26 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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