bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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)

C159H200F5N35O6 — CID 161320105

IUPACbis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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.CC(C)c1nc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)cn1C12CC(N3CCN(CCF)CC3)(C1)C2.CC(C)c1nc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)cn1C12CC(N3CCN(CCF)CC3)(C1)C2.Cc1cc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cnc1N.Cc1ncc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cc1C(F)(F)F
InChIInChI=1S/2C31H38FN7.2C27H34N6O2.C22H27F3N4O.C21H29N5O/c2*1-22(2)29-35-27(18-39(29)31-19-30(20-31,21-31)37-14-12-36(11-8-32)13-15-37)24-16-28-26(34-17-24)7-10-38(28)23(3)25-6-4-5-9-33-25;2*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;1-14(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;1-14(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*4-7,9-10,16-18,22-23H,8,11-15,19-21H2,1-3H3;2*4-7,12-14,18-19H,8-11,15-17H2,1-3H3,(H2,28,30);8-10,14H,4-7,11-13H2,1-3H3;8-10,14H,4-7,11-13H2,1-3H3,(H2,22,23)
InChIKeyVKAIZBVXPZYECB-UHFFFAOYSA-N
MW2792.58 g/mol
LogP26.07
Rot. Bonds38

About bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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)

bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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 161320105) has the molecular formula C159H200F5N35O6 and a molecular weight of 2792.58 g/mol. Its IUPAC name is bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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 Namebis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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 CID161320105
Molecular FormulaC159H200F5N35O6
Molecular Weight2792.58 g/mol
Exact Mass2790.63
IUPAC Namebis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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.CC(C)c1nc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)cn1C12CC(N3CCN(CCF)CC3)(C1)C2.CC(C)c1nc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)cn1C12CC(N3CCN(CCF)CC3)(C1)C2.Cc1cc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cnc1N.Cc1ncc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cc1C(F)(F)F
InChIInChI=1S/2C31H38FN7.2C27H34N6O2.C22H27F3N4O.C21H29N5O/c2*1-22(2)29-35-27(18-39(29)31-19-30(20-31,21-31)37-14-12-36(11-8-32)13-15-37)24-16-28-26(34-17-24)7-10-38(28)23(3)25-6-4-5-9-33-25;2*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;1-14(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;1-14(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*4-7,9-10,16-18,22-23H,8,11-15,19-21H2,1-3H3;2*4-7,12-14,18-19H,8-11,15-17H2,1-3H3,(H2,28,30);8-10,14H,4-7,11-13H2,1-3H3;8-10,14H,4-7,11-13H2,1-3H3,(H2,22,23)
InChIKeyVKAIZBVXPZYECB-UHFFFAOYSA-N
XLogP26.07
TPSA405.04 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds38
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002792.58
LogP ≤ 526.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Analyze bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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-022
CID 163273430
(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164514234
7-[5-[(6-Ethyl-8-morpholin-4-yl-1,5-naphthyridin-3-yl)oxymethyl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304073
WO2022090481, Example I-173
CID 163273431
WO2022090481, Example I-180
CID 164514238
WO2022090481, Example I-221
CID 164514250
US20230399342, Example 27
CID 170433480
US20230399342, Example 26
CID 170433779
WO2022090481, Example I-029
CID 164514169
US10112942, Example 467
CID 134436483
US10112942, Example 466
CID 134436577
US10112942, Example 472
CID 134436634

Frequently Asked Questions

What is the IUPAC name of bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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 bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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 161320105) is bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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 bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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 bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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.CC(C)c1nc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)cn1C12CC(N3CCN(CCF)CC3)(C1)C2.CC(C)c1nc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)cn1C12CC(N3CCN(CCF)CC3)(C1)C2.Cc1cc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cnc1N.Cc1ncc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cc1C(F)(F)F.
What is the InChIKey of bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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 VKAIZBVXPZYECB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H38FN7.2C27H34N6O2.C22H27F3N4O.C21H29N5O/c2*1-22(2)29-35-27(18-39(29)31-19-30(20-31,21-31)37-14-12-36(11-8-32)13-15-37)24-16-28-26(34-17-24)7-10-38(28)23(3)25-6-4-5-9-33-25;2*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;1-14(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;1-14(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*4-7,9-10,16-18,22-23H,8,11-15,19-21H2,1-3H3;2*4-7,12-14,18-19H,8-11,15-17H2,1-3H3,(H2,28,30);8-10,14H,4-7,11-13H2,1-3H3;8-10,14H,4-7,11-13H2,1-3H3,(H2,22,23).
What are the key properties of bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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)?
bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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 2792.58 g/mol, XLogP of 26.07, 38 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);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 161320105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).