C145H192N26O12 — CID 159512190
N-(4-butoxycyclohexyl)-4-methyl-2-(oxan-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-[(4-methylcyclohexyl)amino]pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(oxan-4-ylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(oxan-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-4-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 159512190) has the molecular formula C145H192N26O12 and a molecular weight of 2491.30 g/mol. Its IUPAC name is N-(4-butoxycyclohexyl)-4-methyl-2-(oxan-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-[(4-methylcyclohexyl)amino]pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(oxan-4-ylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(oxan-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-4-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
| Compound Name | N-(4-butoxycyclohexyl)-4-methyl-2-(oxan-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-[(4-methylcyclohexyl)amino]pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(oxan-4-ylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(oxan-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-4-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide |
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| PubChem CID | 159512190 |
| Molecular Formula | C145H192N26O12 |
| Molecular Weight | 2491.30 g/mol |
| Exact Mass | 2489.52 |
| IUPAC Name | N-(4-butoxycyclohexyl)-4-methyl-2-(oxan-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-[(4-methylcyclohexyl)amino]pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(oxan-4-ylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(oxan-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-4-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide |
| SMILES | CCCCOC1CCC(NC(=O)c2ccn3c(C)cc(C4CCOCC4)nc23)CC1.Cc1cc(-c2ccccn2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(-c2ccncc2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(C2CCOCC2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(N2CCOCC2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(NC2CCC(C)CC2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(NC2CCOCC2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12 |
| InChI | InChI=1S/C24H35N3O3.C22H32N4O.C20H28N4O2.2C20H22N4O.C20H27N3O2.C19H26N4O2/c1-3-4-13-30-20-7-5-19(6-8-20)25-24(28)21-9-12-27-17(2)16-22(26-23(21)27)18-10-14-29-15-11-18;1-14-5-9-17(10-6-14)23-19-13-15(2)26-12-11-18(20(26)24-19)21(27)25-22(3,4)16-7-8-16;1-13-12-17(21-15-7-10-26-11-8-15)22-18-16(6-9-24(13)18)19(25)23-20(2,3)14-4-5-14;1-13-12-17(14-6-9-21-10-7-14)22-18-16(8-11-24(13)18)19(25)23-20(2,3)15-4-5-15;1-13-12-17(16-6-4-5-10-21-16)22-18-15(9-11-24(13)18)19(25)23-20(2,3)14-7-8-14;1-13-12-17(14-7-10-25-11-8-14)21-18-16(6-9-23(13)18)19(24)22-20(2,3)15-4-5-15;1-13-12-16(22-8-10-25-11-9-22)20-17-15(6-7-23(13)17)18(24)21-19(2,3)14-4-5-14/h9,12,16,18-20H,3-8,10-11,13-15H2,1-2H3,(H,25,28);11-14,16-17H,5-10H2,1-4H3,(H,23,24)(H,25,27);6,9,12,14-15H,4-5,7-8,10-11H2,1-3H3,(H,21,22)(H,23,25);6-12,15H,4-5H2,1-3H3,(H,23,25);4-6,9-12,14H,7-8H2,1-3H3,(H,23,25);6,9,12,14-15H,4-5,7-8,10-11H2,1-3H3,(H,22,24);6-7,12,14H,4-5,8-11H2,1-3H3,(H,21,24) |
| InChIKey | MASYXJIMUYKCHA-UHFFFAOYSA-N |
| XLogP | 25.20 |
| TPSA | 424.03 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 183 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2491.30 |
| LogP ≤ 5 | 25.20 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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