C106H110N28O16 — CID 158090232
5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[(3-methoxybenzoyl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[2-(3-methoxyphenyl)acetyl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[(3-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-5-(pyrazin-2-ylamino)furan-2-carboxamide (PubChem CID 158090232) has the molecular formula C106H110N28O16 and a molecular weight of 2032.23 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[(3-methoxybenzoyl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[2-(3-methoxyphenyl)acetyl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[(3-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-5-(pyrazin-2-ylamino)furan-2-carboxamide.
| Compound Name | 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[(3-methoxybenzoyl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[2-(3-methoxyphenyl)acetyl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[(3-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-5-(pyrazin-2-ylamino)furan-2-carboxamide |
|---|---|
| PubChem CID | 158090232 |
| Molecular Formula | C106H110N28O16 |
| Molecular Weight | 2032.23 g/mol |
| Exact Mass | 2030.87 |
| IUPAC Name | 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[(3-methoxybenzoyl)amino]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[2-(3-methoxyphenyl)acetyl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[(3-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-5-(pyrazin-2-ylamino)furan-2-carboxamide |
| SMILES | COc1cccc(C(=O)Nc2ccc(C(=O)Nc3cnccc3N3CCNCC3)o2)c1.COc1cccc(CC(=O)c2ccc(C(=O)Nc3cnccc3N3CCNCC3)o2)c1.COc1cccc(NC(=O)Nc2ccc(C(=O)Nc3cnccc3N3CCNCC3)o2)c1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2nc3ccccc3[nH]2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(Nc2cnccn2)o1 |
| InChI | InChI=1S/C23H24N4O4.C22H24N6O4.C22H23N5O4.C21H20N6O2.C18H19N7O2/c1-30-17-4-2-3-16(13-17)14-20(28)21-5-6-22(31-21)23(29)26-18-15-25-8-7-19(18)27-11-9-24-10-12-27;1-31-16-4-2-3-15(13-16)25-22(30)27-20-6-5-19(32-20)21(29)26-17-14-24-8-7-18(17)28-11-9-23-10-12-28;1-30-16-4-2-3-15(13-16)21(28)26-20-6-5-19(31-20)22(29)25-17-14-24-8-7-18(17)27-11-9-23-10-12-27;28-21(26-16-13-23-8-7-17(16)27-11-9-22-10-12-27)19-6-5-18(29-19)20-24-14-3-1-2-4-15(14)25-20;26-18(15-1-2-17(27-15)24-16-12-21-5-6-22-16)23-13-11-20-4-3-14(13)25-9-7-19-8-10-25/h2-8,13,15,24H,9-12,14H2,1H3,(H,26,29);2-8,13-14,23H,9-12H2,1H3,(H,26,29)(H2,25,27,30);2-8,13-14,23H,9-12H2,1H3,(H,25,29)(H,26,28);1-8,13,22H,9-12H2,(H,24,25)(H,26,28);1-6,11-12,19H,7-10H2,(H,22,24)(H,23,26) |
| InChIKey | FNZZJOWSGJKFRZ-UHFFFAOYSA-N |
| XLogP | 13.11 |
| TPSA | 533.48 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2032.23 |
| LogP ≤ 5 | 13.11 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 35 |