(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine

C151H182F19N29O4 — CID 158377317

IUPAC(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
SMILESCCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3C3CC3)[C@@H]2C1.CCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3CC3CC3)[C@@H]2C1.COCCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3CC3CC3)[C@@H]2C1.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1ncc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(C3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C24H29F3N4O.C23H27F3N4O.C22H27F3N4O.C21H24F4N4.C21H25F3N4.C20H23F3N4.C20H27N5O/c1-14-20(24(25,26)27)9-16(10-28-14)21-13-31(22(29-21)8-15-2-3-15)23-18-11-30(12-19(18)23)17-4-6-32-7-5-17;1-13-19(23(24,25)26)8-15(9-27-13)20-12-30(22(28-20)14-2-3-14)21-17-10-29(11-18(17)21)16-4-6-31-7-5-16;1-13-18(22(23,24)25)8-15(9-26-13)19-12-29(20(27-19)7-14-3-4-14)21-16-10-28(5-6-30-2)11-17(16)21;1-12-17(21(23,24)25)7-14(8-26-12)18-11-29(19(27-18)6-13-2-3-13)20-15-9-28(5-4-22)10-16(15)20;1-3-27-9-15-16(10-27)20(15)28-11-18(26-19(28)6-13-4-5-13)14-7-17(21(22,23)24)12(2)25-8-14;1-3-26-8-14-15(9-26)18(14)27-10-17(25-19(27)12-4-5-12)13-6-16(20(21,22)23)11(2)24-7-13;1-11(2)20-23-17(13-4-12(3)19(21)22-5-13)8-25(20)18-15-6-24(7-16(15)18)14-9-26-10-14/h9-10,13,15,17-19,23H,2-8,11-12H2,1H3;8-9,12,14,16-18,21H,2-7,10-11H2,1H3;8-9,12,14,16-17,21H,3-7,10-11H2,1-2H3;7-8,11,13,15-16,20H,2-6,9-10H2,1H3;7-8,11,13,15-16,20H,3-6,9-10H2,1-2H3;6-7,10,12,14-15,18H,3-5,8-9H2,1-2H3;4-5,8,11,14-16,18H,6-7,9-10H2,1-3H3,(H2,21,22)/t18-,19+,23?;17-,18+,21?;16-,17+,21?;2*15-,16+,20?;14-,15+,18?;15-,16+,18?
InChIKeyGVIZTGYWVREJNK-ZLXCBXBNSA-N
MW2828.28 g/mol
LogP28.29
Rot. Bonds35

About (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine

(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine (PubChem CID 158377317) has the molecular formula C151H182F19N29O4 and a molecular weight of 2828.28 g/mol. Its IUPAC name is (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
PubChem CID158377317
Molecular FormulaC151H182F19N29O4
Molecular Weight2828.28 g/mol
Exact Mass2826.46
IUPAC Name(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
SMILESCCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3C3CC3)[C@@H]2C1.CCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3CC3CC3)[C@@H]2C1.COCCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3CC3CC3)[C@@H]2C1.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1ncc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(C3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C24H29F3N4O.C23H27F3N4O.C22H27F3N4O.C21H24F4N4.C21H25F3N4.C20H23F3N4.C20H27N5O/c1-14-20(24(25,26)27)9-16(10-28-14)21-13-31(22(29-21)8-15-2-3-15)23-18-11-30(12-19(18)23)17-4-6-32-7-5-17;1-13-19(23(24,25)26)8-15(9-27-13)20-12-30(22(28-20)14-2-3-14)21-17-10-29(11-18(17)21)16-4-6-31-7-5-16;1-13-18(22(23,24)25)8-15(9-26-13)19-12-29(20(27-19)7-14-3-4-14)21-16-10-28(5-6-30-2)11-17(16)21;1-12-17(21(23,24)25)7-14(8-26-12)18-11-29(19(27-18)6-13-2-3-13)20-15-9-28(5-4-22)10-16(15)20;1-3-27-9-15-16(10-27)20(15)28-11-18(26-19(28)6-13-4-5-13)14-7-17(21(22,23)24)12(2)25-8-14;1-3-26-8-14-15(9-26)18(14)27-10-17(25-19(27)12-4-5-12)13-6-16(20(21,22)23)11(2)24-7-13;1-11(2)20-23-17(13-4-12(3)19(21)22-5-13)8-25(20)18-15-6-24(7-16(15)18)14-9-26-10-14/h9-10,13,15,17-19,23H,2-8,11-12H2,1H3;8-9,12,14,16-18,21H,2-7,10-11H2,1H3;8-9,12,14,16-17,21H,3-7,10-11H2,1-2H3;7-8,11,13,15-16,20H,2-6,9-10H2,1H3;7-8,11,13,15-16,20H,3-6,9-10H2,1-2H3;6-7,10,12,14-15,18H,3-5,8-9H2,1-2H3;4-5,8,11,14-16,18H,6-7,9-10H2,1-3H3,(H2,21,22)/t18-,19+,23?;17-,18+,21?;16-,17+,21?;2*15-,16+,20?;14-,15+,18?;15-,16+,18?
InChIKeyGVIZTGYWVREJNK-ZLXCBXBNSA-N
XLogP28.29
TPSA300.59 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds35
Heavy Atoms203
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002828.28
LogP ≤ 528.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
The IUPAC name of (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine (CID 158377317) is (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
The canonical SMILES for (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine is CCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3C3CC3)[C@@H]2C1.CCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3CC3CC3)[C@@H]2C1.COCCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3CC3CC3)[C@@H]2C1.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1ncc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(C3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F.
What is the InChIKey of (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
The InChIKey is GVIZTGYWVREJNK-ZLXCBXBNSA-N. The full InChI is InChI=1S/C24H29F3N4O.C23H27F3N4O.C22H27F3N4O.C21H24F4N4.C21H25F3N4.C20H23F3N4.C20H27N5O/c1-14-20(24(25,26)27)9-16(10-28-14)21-13-31(22(29-21)8-15-2-3-15)23-18-11-30(12-19(18)23)17-4-6-32-7-5-17;1-13-19(23(24,25)26)8-15(9-27-13)20-12-30(22(28-20)14-2-3-14)21-17-10-29(11-18(17)21)16-4-6-31-7-5-16;1-13-18(22(23,24)25)8-15(9-26-13)19-12-29(20(27-19)7-14-3-4-14)21-16-10-28(5-6-30-2)11-17(16)21;1-12-17(21(23,24)25)7-14(8-26-12)18-11-29(19(27-18)6-13-2-3-13)20-15-9-28(5-4-22)10-16(15)20;1-3-27-9-15-16(10-27)20(15)28-11-18(26-19(28)6-13-4-5-13)14-7-17(21(22,23)24)12(2)25-8-14;1-3-26-8-14-15(9-26)18(14)27-10-17(25-19(27)12-4-5-12)13-6-16(20(21,22)23)11(2)24-7-13;1-11(2)20-23-17(13-4-12(3)19(21)22-5-13)8-25(20)18-15-6-24(7-16(15)18)14-9-26-10-14/h9-10,13,15,17-19,23H,2-8,11-12H2,1H3;8-9,12,14,16-18,21H,2-7,10-11H2,1H3;8-9,12,14,16-17,21H,3-7,10-11H2,1-2H3;7-8,11,13,15-16,20H,2-6,9-10H2,1H3;7-8,11,13,15-16,20H,3-6,9-10H2,1-2H3;6-7,10,12,14-15,18H,3-5,8-9H2,1-2H3;4-5,8,11,14-16,18H,6-7,9-10H2,1-3H3,(H2,21,22)/t18-,19+,23?;17-,18+,21?;16-,17+,21?;2*15-,16+,20?;14-,15+,18?;15-,16+,18?.
What are the key properties of (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine has a molecular weight of 2828.28 g/mol, XLogP of 28.29, 35 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 158377317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).