C66H92F3N21O3 — CID 160676207
1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine (PubChem CID 160676207) has the molecular formula C66H92F3N21O3 and a molecular weight of 1284.60 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine.
| Compound Name | 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine |
|---|---|
| PubChem CID | 160676207 |
| Molecular Formula | C66H92F3N21O3 |
| Molecular Weight | 1284.60 g/mol |
| Exact Mass | 1283.76 |
| IUPAC Name | 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;2-methyl-6-pyrrolidin-1-ylpyridin-3-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine |
| SMILES | COc1cc(N)cnc1N1CCCC1.COc1cc(N2CCCC2)ncc1N.Cc1nc(N2CCCC2)ccc1N.Nc1ccc(N2CC(O)C2)nc1.Nc1ccc(N2CC3CC3C2)nc1.Nc1ccc(N2CCC2)nc1.Nc1cnc(N2CCCC2)cc1C(F)(F)F |
| InChI | InChI=1S/C10H12F3N3.2C10H15N3O.C10H13N3.C10H15N3.C8H11N3O.C8H11N3/c11-10(12,13)7-5-9(15-6-8(7)14)16-3-1-2-4-16;1-14-9-6-10(12-7-8(9)11)13-4-2-3-5-13;1-14-9-6-8(11)7-12-10(9)13-4-2-3-5-13;11-9-1-2-10(12-4-9)13-5-7-3-8(7)6-13;1-8-9(11)4-5-10(12-8)13-6-2-3-7-13;9-6-1-2-8(10-3-6)11-4-7(12)5-11;9-7-2-3-8(10-6-7)11-4-1-5-11/h5-6H,1-4,14H2;2*6-7H,2-5,11H2,1H3;1-2,4,7-8H,3,5-6,11H2;4-5H,2-3,6-7,11H2,1H3;1-3,7,12H,4-5,9H2;2-3,6H,1,4-5,9H2 |
| InChIKey | RNOHXLMAJWSYDQ-UHFFFAOYSA-N |
| XLogP | 8.24 |
| TPSA | 333.74 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 93 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1284.60 |
| LogP ≤ 5 | 8.24 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 24 |