(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine

C111H116F30N24O7 — CID 157321288

IUPAC(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
SMILESC.N[C@H]1C[C@@H](N2CCc3cn[nH]c3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCc3cnc(C(F)(F)F)nc3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCc3nc(C(F)(F)F)ncc3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCc3noc(C4CC4)c3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCn3cc(C(F)(F)F)nc3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCn3nc(C(F)(F)F)nc3C2)COC1c1cc(F)c(F)cc1F
InChIInChI=1S/C20H22F3N3O2.2C19H18F6N4O.C18H18F6N4O.C17H17F6N5O.C17H19F3N4O.CH4/c21-14-7-16(23)15(22)6-12(14)20-17(24)5-11(9-27-20)26-4-3-18-13(8-26)19(28-25-18)10-1-2-10;20-12-5-14(22)13(21)4-11(12)17-15(26)3-10(8-30-17)29-2-1-16-9(7-29)6-27-18(28-16)19(23,24)25;20-12-5-14(22)13(21)4-11(12)17-15(26)3-10(8-30-17)29-2-1-9-6-27-18(19(23,24)25)28-16(9)7-29;19-11-5-13(21)12(20)4-10(11)17-14(25)3-9(8-29-17)27-1-2-28-6-15(18(22,23)24)26-16(28)7-27;18-10-5-12(20)11(19)4-9(10)15-13(24)3-8(7-29-15)27-1-2-28-14(6-27)25-16(26-28)17(21,22)23;18-12-5-14(20)13(19)4-11(12)17-15(21)3-10(8-25-17)24-2-1-9-6-22-23-16(9)7-24;/h6-7,10-11,17,20H,1-5,8-9,24H2;2*4-6,10,15,17H,1-3,7-8,26H2;4-6,9,14,17H,1-3,7-8,25H2;4-5,8,13,15H,1-3,6-7,24H2;4-6,10,15,17H,1-3,7-8,21H2,(H,22,23);1H4/t11-,17+,20?;2*10-,15+,17?;9-,14+,17?;8-,13+,15?;10-,15+,17?;/m111111./s1
InChIKeyBEESGNCYCFMBPR-BGQZGQPTSA-N
MW2468.25 g/mol
LogP17.50
Rot. Bonds13

About (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine

(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine (PubChem CID 157321288) has the molecular formula C111H116F30N24O7 and a molecular weight of 2468.25 g/mol. Its IUPAC name is (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine.

Molecular Properties

Compound Name(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
PubChem CID157321288
Molecular FormulaC111H116F30N24O7
Molecular Weight2468.25 g/mol
Exact Mass2466.90
IUPAC Name(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
SMILESC.N[C@H]1C[C@@H](N2CCc3cn[nH]c3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCc3cnc(C(F)(F)F)nc3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCc3nc(C(F)(F)F)ncc3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCc3noc(C4CC4)c3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCn3cc(C(F)(F)F)nc3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCn3nc(C(F)(F)F)nc3C2)COC1c1cc(F)c(F)cc1F
InChIInChI=1S/C20H22F3N3O2.2C19H18F6N4O.C18H18F6N4O.C17H17F6N5O.C17H19F3N4O.CH4/c21-14-7-16(23)15(22)6-12(14)20-17(24)5-11(9-27-20)26-4-3-18-13(8-26)19(28-25-18)10-1-2-10;20-12-5-14(22)13(21)4-11(12)17-15(26)3-10(8-30-17)29-2-1-16-9(7-29)6-27-18(28-16)19(23,24)25;20-12-5-14(22)13(21)4-11(12)17-15(26)3-10(8-30-17)29-2-1-9-6-27-18(19(23,24)25)28-16(9)7-29;19-11-5-13(21)12(20)4-10(11)17-14(25)3-9(8-29-17)27-1-2-28-6-15(18(22,23)24)26-16(28)7-27;18-10-5-12(20)11(19)4-9(10)15-13(24)3-8(7-29-15)27-1-2-28-14(6-27)25-16(26-28)17(21,22)23;18-12-5-14(20)13(19)4-11(12)17-15(21)3-10(8-25-17)24-2-1-9-6-22-23-16(9)7-24;/h6-7,10-11,17,20H,1-5,8-9,24H2;2*4-6,10,15,17H,1-3,7-8,26H2;4-6,9,14,17H,1-3,7-8,25H2;4-5,8,13,15H,1-3,6-7,24H2;4-6,10,15,17H,1-3,7-8,21H2,(H,22,23);1H4/t11-,17+,20?;2*10-,15+,17?;9-,14+,17?;8-,13+,15?;10-,15+,17?;/m111111./s1
InChIKeyBEESGNCYCFMBPR-BGQZGQPTSA-N
XLogP17.50
TPSA385.74 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds13
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002468.25
LogP ≤ 517.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine with MolForge

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Related Compounds

(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 158557182
(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 160453613
(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 161206034
1,3-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2,8-dimethyl-3,4-dihydro-1H-isoquinoline;1,2-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2,5-dimethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;3-(2-methoxyethyl)-1-methyl-2,3-dihydroindole;7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline;5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;methyl 5-fluoro-1-methyl-2,3-dihydroindole-3-carboxylate;5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;2,3,3-trimethyl-1,4-dihydroisoquinoline;1,4,4-trimethyl-2,3-dihydroquinoline
CID 161827750
tert-butyl (3S,5R)-3-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-hydroxypiperidine-1-carboxylate;cis-(1S,3R)-3-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 163823097
1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 157209580
CID 158307817
CID 158307817
CID 158742168
CID 158742168
(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine
CID 158800261
CID 158834478
CID 158834478
CID 159257280
CID 159257280
CID 159945534
CID 159945534

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine?
The IUPAC name of (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine (CID 157321288) is (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine.
What is the SMILES notation for (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine?
The canonical SMILES for (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine is C.N[C@H]1C[C@@H](N2CCc3cn[nH]c3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCc3cnc(C(F)(F)F)nc3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCc3nc(C(F)(F)F)ncc3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCc3noc(C4CC4)c3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCn3cc(C(F)(F)F)nc3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCn3nc(C(F)(F)F)nc3C2)COC1c1cc(F)c(F)cc1F.
What is the InChIKey of (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine?
The InChIKey is BEESGNCYCFMBPR-BGQZGQPTSA-N. The full InChI is InChI=1S/C20H22F3N3O2.2C19H18F6N4O.C18H18F6N4O.C17H17F6N5O.C17H19F3N4O.CH4/c21-14-7-16(23)15(22)6-12(14)20-17(24)5-11(9-27-20)26-4-3-18-13(8-26)19(28-25-18)10-1-2-10;20-12-5-14(22)13(21)4-11(12)17-15(26)3-10(8-30-17)29-2-1-16-9(7-29)6-27-18(28-16)19(23,24)25;20-12-5-14(22)13(21)4-11(12)17-15(26)3-10(8-30-17)29-2-1-9-6-27-18(19(23,24)25)28-16(9)7-29;19-11-5-13(21)12(20)4-10(11)17-14(25)3-9(8-29-17)27-1-2-28-6-15(18(22,23)24)26-16(28)7-27;18-10-5-12(20)11(19)4-9(10)15-13(24)3-8(7-29-15)27-1-2-28-14(6-27)25-16(26-28)17(21,22)23;18-12-5-14(20)13(19)4-11(12)17-15(21)3-10(8-25-17)24-2-1-9-6-22-23-16(9)7-24;/h6-7,10-11,17,20H,1-5,8-9,24H2;2*4-6,10,15,17H,1-3,7-8,26H2;4-6,9,14,17H,1-3,7-8,25H2;4-5,8,13,15H,1-3,6-7,24H2;4-6,10,15,17H,1-3,7-8,21H2,(H,22,23);1H4/t11-,17+,20?;2*10-,15+,17?;9-,14+,17?;8-,13+,15?;10-,15+,17?;/m111111./s1.
What are the key properties of (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine?
(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine has a molecular weight of 2468.25 g/mol, XLogP of 17.50, 13 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine is sourced from PubChem (CID 157321288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).