N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide
C165H176F7N45O19S — CID 158314279
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide
N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 158314279) has the molecular formula C165H176F7N45O19S and a molecular weight of 3258.57 g/mol. Its IUPAC name is N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158314279 |
| Molecular Formula | C165H176F7N45O19S |
| Molecular Weight | 3258.57 g/mol |
| Exact Mass | 3256.38 |
| IUPAC Name | N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide |
| SMILES | CCCn1c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4cccnc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC(C)C)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCC4)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCC4)C(=O)c4cccnc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCOCC4)C(=O)c4ccc(F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(Cc4cccs4)C(=O)c4cccnc4)nc3)nc21 |
| InChI | InChI=1S/C29H31F3N8O3.C28H31FN8O4.C28H32N8O3.C27H28F3N7O3.C27H25N7O3S.C26H29N7O3/c1-2-11-39-25-23(27(42)40(28(39)43)20-7-8-20)35-24(36-25)18-6-10-22(34-16-18)38(15-14-37-12-3-4-13-37)26(41)19-5-9-21(33-17-19)29(30,31)32;1-2-9-36-25-23(27(39)37(28(36)40)20-5-6-20)32-24(33-25)18-4-8-22(31-16-18)35(11-10-34-12-14-41-15-13-34)26(38)19-3-7-21(29)30-17-19;1-2-12-35-25-23(27(38)36(28(35)39)21-8-9-21)31-24(32-25)19-7-10-22(30-18-19)34(16-15-33-13-3-4-14-33)26(37)20-6-5-11-29-17-20;1-4-11-35-23-21(25(39)37(26(35)40)18-7-8-18)33-22(34-23)16-6-10-20(32-12-16)36(14-15(2)3)24(38)17-5-9-19(31-13-17)27(28,29)30;1-2-12-32-24-22(26(36)34(27(32)37)19-8-9-19)30-23(31-24)17-7-10-21(29-15-17)33(16-20-6-4-13-38-20)25(35)18-5-3-11-28-14-18;1-3-12-31-23-21(25(35)32(13-4-2)26(31)36)29-22(30-23)18-9-10-20(28-15-18)33(16-17-7-8-17)24(34)19-6-5-11-27-14-19/h5-6,9-10,16-17,20H,2-4,7-8,11-15H2,1H3,(H,35,36);3-4,7-8,16-17,20H,2,5-6,9-15H2,1H3,(H,32,33);5-7,10-11,17-18,21H,2-4,8-9,12-16H2,1H3,(H,31,32);5-6,9-10,12-13,15,18H,4,7-8,11,14H2,1-3H3,(H,33,34);3-7,10-11,13-15,19H,2,8-9,12,16H2,1H3,(H,30,31);5-6,9-11,14-15,17H,3-4,7-8,12-13,16H2,1-2H3,(H,29,30) |
| InChIKey | GOBJZFBBPSDEIB-UHFFFAOYSA-N |
| XLogP | 20.51 |
| TPSA | 731.57 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 237 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3258.57 |
| LogP ≤ 5 | 20.51 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 53 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|
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Sources
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