C139H140FN37O10 — CID 157360067
6-(4-cyclopropylimidazol-1-yl)-7-(dimethylamino)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one (PubChem CID 157360067) has the molecular formula C139H140FN37O10 and a molecular weight of 2507.90 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-7-(dimethylamino)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one.
| Compound Name | 6-(4-cyclopropylimidazol-1-yl)-7-(dimethylamino)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one |
|---|---|
| PubChem CID | 157360067 |
| Molecular Formula | C139H140FN37O10 |
| Molecular Weight | 2507.90 g/mol |
| Exact Mass | 2506.16 |
| IUPAC Name | 6-(4-cyclopropylimidazol-1-yl)-7-(dimethylamino)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one |
| SMILES | CC(C)n1ccnc1-c1cccc(-n2cnc3cc(N(C)C)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.CC(C)n1ccnc1-c1cccc(-n2cnc3cc(N4CCOCC4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.CC(C)n1ccnc1-c1cccc(-n2cnc3cc(OCC4COC4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.CC(C)n1ccnc1-c1cccc(-n2cnc3cc(OCCCF)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.Cc1cc2ncn(-c3cccc(-c4nccn4C(C)CO)n3)c(=O)c2cc1-n1cnc(C2CC2)c1 |
| InChI | InChI=1S/C29H30N8O2.C29H29N7O3.C28H28FN7O2.C27H28N8O.C26H25N7O2/c1-19(2)36-9-8-30-28(36)22-4-3-5-27(33-22)37-18-32-23-15-26(34-10-12-39-13-11-34)25(14-21(23)29(37)38)35-16-24(31-17-35)20-6-7-20;1-18(2)35-9-8-30-28(35)22-4-3-5-27(33-22)36-17-32-23-11-26(39-15-19-13-38-14-19)25(10-21(23)29(36)37)34-12-24(31-16-34)20-6-7-20;1-18(2)35-11-10-30-27(35)21-5-3-6-26(33-21)36-17-32-22-14-25(38-12-4-9-29)24(13-20(22)28(36)37)34-15-23(31-16-34)19-7-8-19;1-17(2)34-11-10-28-26(34)20-6-5-7-25(31-20)35-16-30-21-13-23(32(3)4)24(12-19(21)27(35)36)33-14-22(29-15-33)18-8-9-18;1-16-10-21-19(11-23(16)31-12-22(28-14-31)18-6-7-18)26(35)33(15-29-21)24-5-3-4-20(30-24)25-27-8-9-32(25)17(2)13-34/h3-5,8-9,14-20H,6-7,10-13H2,1-2H3;3-5,8-12,16-20H,6-7,13-15H2,1-2H3;3,5-6,10-11,13-19H,4,7-9,12H2,1-2H3;5-7,10-18H,8-9H2,1-4H3;3-5,8-12,14-15,17-18,34H,6-7,13H2,1-2H3 |
| InChIKey | BINNXUUYZUQVGV-UHFFFAOYSA-N |
| XLogP | 21.39 |
| TPSA | 480.73 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 187 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2507.90 |
| LogP ≤ 5 | 21.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 47 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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