C82H90ClFN24O — CID 159248459
6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 159248459) has the molecular formula C82H90ClFN24O and a molecular weight of 1482.24 g/mol. Its IUPAC name is 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine.
| Compound Name | 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine |
|---|---|
| PubChem CID | 159248459 |
| Molecular Formula | C82H90ClFN24O |
| Molecular Weight | 1482.24 g/mol |
| Exact Mass | 1480.74 |
| IUPAC Name | 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine |
| SMILES | Cc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Clc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Fc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.OCc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1 |
| InChI | InChI=1S/C21H24N6O.C21H24N6.C20H21ClN6.C20H21FN6/c28-12-15-4-1-2-5-16(15)18-6-3-9-27(18)21-11-19(22-13-23-21)24-20-10-17(25-26-20)14-7-8-14;1-14-5-2-3-6-16(14)18-7-4-10-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-8-9-15;2*21-15-5-2-1-4-14(15)17-6-3-9-27(17)20-11-18(22-12-23-20)24-19-10-16(25-26-19)13-7-8-13/h1-2,4-5,10-11,13-14,18,28H,3,6-9,12H2,(H2,22,23,24,25,26);2-3,5-6,11-13,15,18H,4,7-10H2,1H3,(H2,22,23,24,25,26);2*1-2,4-5,10-13,17H,3,6-9H2,(H2,22,23,24,25,26) |
| InChIKey | KUZCASQWGYZBMX-UHFFFAOYSA-N |
| XLogP | 17.24 |
| TPSA | 299.15 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 109 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1482.24 |
| LogP ≤ 5 | 17.24 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 21 |