5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine)

C142H182F6N32O6 — CID 160901693

IUPAC5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine)
SMILESCC(C)c1nc(-c2cnc(N)c(OC(C)c3ccccn3)c2)cn1C12CC(N3CCOCC3)(C1)C2.CC(C)c1nc(-c2cnc(N)c(OC(C)c3ccccn3)c2)cn1C12CC(N3CCOCC3)(C1)C2.Cc1cc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(C3CC3)n2)cnc1N.Cc1ncc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/2C27H34N6O2.C23H28F3N5.C22H27F3N4O.C22H30N6.C21H29N5O/c2*1-18(2)25-31-22(14-33(25)27-15-26(16-27,17-27)32-8-10-34-11-9-32)20-12-23(24(28)30-13-20)35-19(3)21-6-4-5-7-29-21;1-15-18(23(24,25)26)9-17(10-27-15)19-11-31(20(28-19)16-3-4-16)22-12-21(13-22,14-22)30-7-5-29(2)6-8-30;1-14(2)29-19(20-11-21(12-20,13-20)28-4-6-30-7-5-28)9-18(27-29)16-8-17(22(23,24)25)15(3)26-10-16;1-15-9-17(10-24-19(15)23)18-11-28(20(25-18)16-3-4-16)22-12-21(13-22,14-22)27-7-5-26(2)6-8-27;1-14(2)26-18(9-17(24-26)16-8-15(3)19(22)23-10-16)20-11-21(12-20,13-20)25-4-6-27-7-5-25/h2*4-7,12-14,18-19H,8-11,15-17H2,1-3H3,(H2,28,30);9-11,16H,3-8,12-14H2,1-2H3;8-10,14H,4-7,11-13H2,1-3H3;9-11,16H,3-8,12-14H2,1-2H3,(H2,23,24);8-10,14H,4-7,11-13H2,1-3H3,(H2,22,23)
InChIKeySPOYIDWLVYDBBT-UHFFFAOYSA-N
MW2547.22 g/mol
LogP22.20
Rot. Bonds30

About 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine)

5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine) (PubChem CID 160901693) has the molecular formula C142H182F6N32O6 and a molecular weight of 2547.22 g/mol. Its IUPAC name is 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine).

Molecular Properties

Compound Name5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine)
PubChem CID160901693
Molecular FormulaC142H182F6N32O6
Molecular Weight2547.22 g/mol
Exact Mass2545.48
IUPAC Name5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine)
SMILESCC(C)c1nc(-c2cnc(N)c(OC(C)c3ccccn3)c2)cn1C12CC(N3CCOCC3)(C1)C2.CC(C)c1nc(-c2cnc(N)c(OC(C)c3ccccn3)c2)cn1C12CC(N3CCOCC3)(C1)C2.Cc1cc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(C3CC3)n2)cnc1N.Cc1ncc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/2C27H34N6O2.C23H28F3N5.C22H27F3N4O.C22H30N6.C21H29N5O/c2*1-18(2)25-31-22(14-33(25)27-15-26(16-27,17-27)32-8-10-34-11-9-32)20-12-23(24(28)30-13-20)35-19(3)21-6-4-5-7-29-21;1-15-18(23(24,25)26)9-17(10-27-15)19-11-31(20(28-19)16-3-4-16)22-12-21(13-22,14-22)30-7-5-29(2)6-8-30;1-14(2)29-19(20-11-21(12-20,13-20)28-4-6-30-7-5-28)9-18(27-29)16-8-17(22(23,24)25)15(3)26-10-16;1-15-9-17(10-24-19(15)23)18-11-28(20(25-18)16-3-4-16)22-12-21(13-22,14-22)27-7-5-26(2)6-8-27;1-14(2)26-18(9-17(24-26)16-8-15(3)19(22)23-10-16)20-11-21(12-20,13-20)25-4-6-27-7-5-25/h2*4-7,12-14,18-19H,8-11,15-17H2,1-3H3,(H2,28,30);9-11,16H,3-8,12-14H2,1-2H3;8-10,14H,4-7,11-13H2,1-3H3;9-11,16H,3-8,12-14H2,1-2H3,(H2,23,24);8-10,14H,4-7,11-13H2,1-3H3,(H2,22,23)
InChIKeySPOYIDWLVYDBBT-UHFFFAOYSA-N
XLogP22.20
TPSA395.42 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002547.22
LogP ≤ 522.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Analyze 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

WO2022090481, Example I-173
CID 163273431
WO2022090481, Example I-180
CID 164514238
WO2022090481, Example I-221
CID 164514250
8-methoxy-6-[5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4-(trifluoromethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156321462
8-methoxy-6-[5-[5-[6-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-pyridinyl]-4-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156321737
3-Cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 157049633
CID 157078309
CID 157078309
2-[2-[6-(1,1-Difluoroethyl)-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine;2-[2-(6,7-dimethylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine;5,8-dimethyl-2-[2-(3,6,7-trimethylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine;2-[2-(8-methoxy-3,6-dimethylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine;2-[2-(8-methoxy-3,7-dimethylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine;2-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine;2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 157078662
5-[5-[(1S,5R)-3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1S,5R)-3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 157104559
CID 157106431
CID 157106431
4-[5-(1-cyclobutylpyrazol-4-yl)-2-(1-phenoxypropan-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157116905
5-[5-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;bis(5-[5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine)
CID 157120991

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine)?
The IUPAC name of 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine) (CID 160901693) is 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine).
What is the SMILES notation for 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine)?
The canonical SMILES for 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine) is CC(C)c1nc(-c2cnc(N)c(OC(C)c3ccccn3)c2)cn1C12CC(N3CCOCC3)(C1)C2.CC(C)c1nc(-c2cnc(N)c(OC(C)c3ccccn3)c2)cn1C12CC(N3CCOCC3)(C1)C2.Cc1cc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(C3CC3)n2)cnc1N.Cc1ncc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(C3CC3)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine)?
The InChIKey is SPOYIDWLVYDBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H34N6O2.C23H28F3N5.C22H27F3N4O.C22H30N6.C21H29N5O/c2*1-18(2)25-31-22(14-33(25)27-15-26(16-27,17-27)32-8-10-34-11-9-32)20-12-23(24(28)30-13-20)35-19(3)21-6-4-5-7-29-21;1-15-18(23(24,25)26)9-17(10-27-15)19-11-31(20(28-19)16-3-4-16)22-12-21(13-22,14-22)30-7-5-29(2)6-8-30;1-14(2)29-19(20-11-21(12-20,13-20)28-4-6-30-7-5-28)9-18(27-29)16-8-17(22(23,24)25)15(3)26-10-16;1-15-9-17(10-24-19(15)23)18-11-28(20(25-18)16-3-4-16)22-12-21(13-22,14-22)27-7-5-26(2)6-8-27;1-14(2)26-18(9-17(24-26)16-8-15(3)19(22)23-10-16)20-11-21(12-20,13-20)25-4-6-27-7-5-25/h2*4-7,12-14,18-19H,8-11,15-17H2,1-3H3,(H2,28,30);9-11,16H,3-8,12-14H2,1-2H3;8-10,14H,4-7,11-13H2,1-3H3;9-11,16H,3-8,12-14H2,1-2H3,(H2,23,24);8-10,14H,4-7,11-13H2,1-3H3,(H2,22,23).
What are the key properties of 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine)?
5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine) has a molecular weight of 2547.22 g/mol, XLogP of 22.20, 30 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine) is sourced from PubChem (CID 160901693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).