C82H90ClFN24 — CID 159865313
6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 159865313) has the molecular formula C82H90ClFN24 and a molecular weight of 1466.24 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine.
| Compound Name | 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine |
|---|---|
| PubChem CID | 159865313 |
| Molecular Formula | C82H90ClFN24 |
| Molecular Weight | 1466.24 g/mol |
| Exact Mass | 1464.75 |
| IUPAC Name | 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine |
| SMILES | Cc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.Cc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Clc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.Fc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1 |
| InChI | InChI=1S/2C21H24N6.C20H21ClN6.C20H21FN6/c1-14-4-2-5-16(10-14)18-6-3-9-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-7-8-15;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*21-15-4-1-3-14(9-15)17-5-2-8-27(17)20-11-18(22-12-23-20)24-19-10-16(25-26-19)13-6-7-13/h2,4-5,10-13,15,18H,3,6-9H2,1H3,(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*1,3-4,9-13,17H,2,5-8H2,(H2,22,23,24,25,26) |
| InChIKey | NRQUENRHCBRTRX-UHFFFAOYSA-N |
| XLogP | 18.06 |
| TPSA | 278.92 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 108 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1466.24 |
| LogP ≤ 5 | 18.06 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 20 |