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

C152H195F6N33O6 — CID 161193733

IUPAC(1R,5S)-6-[2-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-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)nc3CC3CC3)[C@@H]2C1.Cc1cc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CCCC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CCCC3)n2)cnc1N.Cc1ncc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CCCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C23H27F3N4O.3C22H29N5O.C22H31N5O.C21H25F3N4.C20H25N5O/c1-13-19(23(24,25)26)6-15(7-27-13)20-10-30(22(28-20)14-4-2-3-5-14)21-17-8-29(9-18(17)21)16-11-31-12-16;1-13-8-15(9-24-21(13)23)19-12-27(22(25-19)14-2-3-14)20-17-10-26(11-18(17)20)16-4-6-28-7-5-16;2*1-13-6-15(7-24-21(13)23)19-10-27(22(25-19)14-4-2-3-5-14)20-17-8-26(9-18(17)20)16-11-28-12-16;1-13(2)22-25-19(15-8-14(3)21(23)24-9-15)12-27(22)20-17-10-26(11-18(17)20)16-4-6-28-7-5-16;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;1-11-4-13(5-22-19(11)21)17-8-25(20(23-17)12-2-3-12)18-15-6-24(7-16(15)18)14-9-26-10-14/h6-7,10,14,16-18,21H,2-5,8-9,11-12H2,1H3;8-9,12,14,16-18,20H,2-7,10-11H2,1H3,(H2,23,24);2*6-7,10,14,16-18,20H,2-5,8-9,11-12H2,1H3,(H2,23,24);8-9,12-13,16-18,20H,4-7,10-11H2,1-3H3,(H2,23,24);7-8,11,13,15-16,20H,3-6,9-10H2,1-2H3;4-5,8,12,14-16,18H,2-3,6-7,9-10H2,1H3,(H2,21,22)/t17-,18+,21?;4*17-,18+,20?;15-,16+,20?;15-,16+,18?
InChIKeyUUBJWHRLIVJQGY-OIARPPITSA-N
MW2694.44 g/mol
LogP23.22
Rot. Bonds29

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

(1R,5S)-6-[2-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine (PubChem CID 161193733) has the molecular formula C152H195F6N33O6 and a molecular weight of 2694.44 g/mol. Its IUPAC name is (1R,5S)-6-[2-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-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-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
PubChem CID161193733
Molecular FormulaC152H195F6N33O6
Molecular Weight2694.44 g/mol
Exact Mass2692.59
IUPAC Name(1R,5S)-6-[2-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-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)nc3CC3CC3)[C@@H]2C1.Cc1cc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CCCC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CCCC3)n2)cnc1N.Cc1ncc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CCCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C23H27F3N4O.3C22H29N5O.C22H31N5O.C21H25F3N4.C20H25N5O/c1-13-19(23(24,25)26)6-15(7-27-13)20-10-30(22(28-20)14-4-2-3-5-14)21-17-8-29(9-18(17)21)16-11-31-12-16;1-13-8-15(9-24-21(13)23)19-12-27(22(25-19)14-2-3-14)20-17-10-26(11-18(17)20)16-4-6-28-7-5-16;2*1-13-6-15(7-24-21(13)23)19-10-27(22(25-19)14-4-2-3-5-14)20-17-8-26(9-18(17)20)16-11-28-12-16;1-13(2)22-25-19(15-8-14(3)21(23)24-9-15)12-27(22)20-17-10-26(11-18(17)20)16-4-6-28-7-5-16;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;1-11-4-13(5-22-19(11)21)17-8-25(20(23-17)12-2-3-12)18-15-6-24(7-16(15)18)14-9-26-10-14/h6-7,10,14,16-18,21H,2-5,8-9,11-12H2,1H3;8-9,12,14,16-18,20H,2-7,10-11H2,1H3,(H2,23,24);2*6-7,10,14,16-18,20H,2-5,8-9,11-12H2,1H3,(H2,23,24);8-9,12-13,16-18,20H,4-7,10-11H2,1-3H3,(H2,23,24);7-8,11,13,15-16,20H,3-6,9-10H2,1-2H3;4-5,8,12,14-16,18H,2-3,6-7,9-10H2,1H3,(H2,21,22)/t17-,18+,21?;4*17-,18+,20?;15-,16+,20?;15-,16+,18?
InChIKeyUUBJWHRLIVJQGY-OIARPPITSA-N
XLogP23.22
TPSA423.13 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds29
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002694.44
LogP ≤ 523.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

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

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-[2-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-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-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine (CID 161193733) is (1R,5S)-6-[2-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-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-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-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-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-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)nc3CC3CC3)[C@@H]2C1.Cc1cc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CCCC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CCCC3)n2)cnc1N.Cc1ncc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CCCC3)n2)cc1C(F)(F)F.
What is the InChIKey of (1R,5S)-6-[2-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
The InChIKey is UUBJWHRLIVJQGY-OIARPPITSA-N. The full InChI is InChI=1S/C23H27F3N4O.3C22H29N5O.C22H31N5O.C21H25F3N4.C20H25N5O/c1-13-19(23(24,25)26)6-15(7-27-13)20-10-30(22(28-20)14-4-2-3-5-14)21-17-8-29(9-18(17)21)16-11-31-12-16;1-13-8-15(9-24-21(13)23)19-12-27(22(25-19)14-2-3-14)20-17-10-26(11-18(17)20)16-4-6-28-7-5-16;2*1-13-6-15(7-24-21(13)23)19-10-27(22(25-19)14-4-2-3-5-14)20-17-8-26(9-18(17)20)16-11-28-12-16;1-13(2)22-25-19(15-8-14(3)21(23)24-9-15)12-27(22)20-17-10-26(11-18(17)20)16-4-6-28-7-5-16;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;1-11-4-13(5-22-19(11)21)17-8-25(20(23-17)12-2-3-12)18-15-6-24(7-16(15)18)14-9-26-10-14/h6-7,10,14,16-18,21H,2-5,8-9,11-12H2,1H3;8-9,12,14,16-18,20H,2-7,10-11H2,1H3,(H2,23,24);2*6-7,10,14,16-18,20H,2-5,8-9,11-12H2,1H3,(H2,23,24);8-9,12-13,16-18,20H,4-7,10-11H2,1-3H3,(H2,23,24);7-8,11,13,15-16,20H,3-6,9-10H2,1-2H3;4-5,8,12,14-16,18H,2-3,6-7,9-10H2,1H3,(H2,21,22)/t17-,18+,21?;4*17-,18+,20?;15-,16+,20?;15-,16+,18?.
What are the key properties of (1R,5S)-6-[2-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
(1R,5S)-6-[2-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine has a molecular weight of 2694.44 g/mol, XLogP of 23.22, 29 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-[2-cyclopentyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;bis(5-[2-cyclopentyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 161193733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).