tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide

C136H166Cl3F15N24O11 — CID 158448433

IUPACtert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESC.C.C.C.CC(C(N)=O)c1ccccc1C#Cc1nc(Cc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)ncc1C(F)(F)F.CC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)ncc1C(F)(F)F.CC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)nc2)ncc1C(F)(F)F.CC(C)(C)OC(=O)N1CCC(c2ccc(Cc3ncc(C(F)(F)F)c(Cl)n3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc(N)cn2)CC1.FC(F)(F)c1cnc(Cl)nc1Cl
InChIInChI=1S/C32H38F3N5O3.C32H34F3N5O3.C27H30F3N5O.C21H24ClF3N4O2.C15H23N3O2.C5HCl2F3N2.4CH4/c2*1-20(29(36)41)24-8-6-5-7-22(24)10-12-27-25(32(33,34)35)19-38-28(39-27)17-21-9-11-26(37-18-21)23-13-15-40(16-14-23)30(42)43-31(2,3)4;1-17(26(31)36)21-5-3-2-4-19(21)7-9-24-22(27(28,29)30)16-34-25(35-24)14-18-6-8-23(33-15-18)20-10-12-32-13-11-20;1-20(2,3)31-19(30)29-8-6-14(7-9-29)16-5-4-13(11-26-16)10-17-27-12-15(18(22)28-17)21(23,24)25;1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-5-4-12(16)10-17-13;6-3-2(5(8,9)10)1-11-4(7)12-3;;;;/h5-9,11,18-20,23H,10,12-17H2,1-4H3,(H2,36,41);5-9,11,18-20,23H,13-17H2,1-4H3,(H2,36,41);2-6,8,15-17,20,32H,7,9-14H2,1H3,(H2,31,36);4-5,11-12,14H,6-10H2,1-3H3;4-5,10-11H,6-9,16H2,1-3H3;1H;4*1H4
InChIKeyHDRHMIOPFUKRLT-UHFFFAOYSA-N
MW2704.31 g/mol
LogP29.25
Rot. Bonds25

About tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide

tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 158448433) has the molecular formula C136H166Cl3F15N24O11 and a molecular weight of 2704.31 g/mol. Its IUPAC name is tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

Compound Nametert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
PubChem CID158448433
Molecular FormulaC136H166Cl3F15N24O11
Molecular Weight2704.31 g/mol
Exact Mass2701.20
IUPAC Nametert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESC.C.C.C.CC(C(N)=O)c1ccccc1C#Cc1nc(Cc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)ncc1C(F)(F)F.CC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)ncc1C(F)(F)F.CC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)nc2)ncc1C(F)(F)F.CC(C)(C)OC(=O)N1CCC(c2ccc(Cc3ncc(C(F)(F)F)c(Cl)n3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc(N)cn2)CC1.FC(F)(F)c1cnc(Cl)nc1Cl
InChIInChI=1S/C32H38F3N5O3.C32H34F3N5O3.C27H30F3N5O.C21H24ClF3N4O2.C15H23N3O2.C5HCl2F3N2.4CH4/c2*1-20(29(36)41)24-8-6-5-7-22(24)10-12-27-25(32(33,34)35)19-38-28(39-27)17-21-9-11-26(37-18-21)23-13-15-40(16-14-23)30(42)43-31(2,3)4;1-17(26(31)36)21-5-3-2-4-19(21)7-9-24-22(27(28,29)30)16-34-25(35-24)14-18-6-8-23(33-15-18)20-10-12-32-13-11-20;1-20(2,3)31-19(30)29-8-6-14(7-9-29)16-5-4-13(11-26-16)10-17-27-12-15(18(22)28-17)21(23,24)25;1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-5-4-12(16)10-17-13;6-3-2(5(8,9)10)1-11-4(7)12-3;;;;/h5-9,11,18-20,23H,10,12-17H2,1-4H3,(H2,36,41);5-9,11,18-20,23H,13-17H2,1-4H3,(H2,36,41);2-6,8,15-17,20,32H,7,9-14H2,1H3,(H2,31,36);4-5,11-12,14H,6-10H2,1-3H3;4-5,10-11H,6-9,16H2,1-3H3;1H;4*1H4
InChIKeyHDRHMIOPFUKRLT-UHFFFAOYSA-N
XLogP29.25
TPSA478.83 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002704.31
LogP ≤ 529.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide 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

tert-Butyl 4-(5-((4-(2-(1-carbamoylcyclopropyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)pyridin-2-yl)piperidine-1-carboxylate
CID 86712293
tert-Butyl 4-(5-((4-((2-(1-amino-1-oxopropan-2-yl)phenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)pyridin-2-yl)piperidine-1-carboxylate
CID 86712342
tert-Butyl 4-(5-((4-(2-(1-amino-1-oxopropan-2-yl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)pyridin-2-yl)piperidine-1-carboxylate
CID 86712343
tert-Butyl 4-(5-((4-((2-(1-carbamoylcyclopropyl)phenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)pyridin-2-yl)piperidine-1-carboxylate
CID 86712348
tert-Butyl 4-(5-((4-(2-(2-amino-2-oxoethyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)pyridin-2-yl)piperidine-1-carboxylate
CID 86712663
4-[5-[[4-[2-[2-(1-Amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidine-1-carboxylic acid
CID 89999757
Tert-butyl 2-[5-[6-(aminomethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-3-pyridinyl]-3-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methylcarbamoyl]-2-azoniabicyclo[3.1.0]hexane-2-carboxylate
CID 123174161
[3-[[2-[2-[2-[[(5-Chloropyridin-2-yl)amino]methyl]-3-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrimidin-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 123893427
[4-[2-Amino-5-[2-[4-[4-[4-[2-amino-5-[2-[4-[4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-3-fluorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-6-methyl-3-pyridinyl]piperidine-1-carbonyl]-3-chlorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-3-pyridinyl]piperidin-1-yl]-[4-[5-[2-(6-amino-2-methyl-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]methanone
CID 123896323
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-(4,4-difluoropiperidin-1-yl)methanone;4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;ethane
CID 144227752
Tert-butyl 4-[5-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidine-1-carboxylate;ethane
CID 144572178
Potassium;tert-butyl 4-[4-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium
CID 157102669

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The IUPAC name of tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 158448433) is tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide.
What is the SMILES notation for tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The canonical SMILES for tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide is C.C.C.C.CC(C(N)=O)c1ccccc1C#Cc1nc(Cc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)ncc1C(F)(F)F.CC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)ncc1C(F)(F)F.CC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)nc2)ncc1C(F)(F)F.CC(C)(C)OC(=O)N1CCC(c2ccc(Cc3ncc(C(F)(F)F)c(Cl)n3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc(N)cn2)CC1.FC(F)(F)c1cnc(Cl)nc1Cl.
What is the InChIKey of tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The InChIKey is HDRHMIOPFUKRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F3N5O3.C32H34F3N5O3.C27H30F3N5O.C21H24ClF3N4O2.C15H23N3O2.C5HCl2F3N2.4CH4/c2*1-20(29(36)41)24-8-6-5-7-22(24)10-12-27-25(32(33,34)35)19-38-28(39-27)17-21-9-11-26(37-18-21)23-13-15-40(16-14-23)30(42)43-31(2,3)4;1-17(26(31)36)21-5-3-2-4-19(21)7-9-24-22(27(28,29)30)16-34-25(35-24)14-18-6-8-23(33-15-18)20-10-12-32-13-11-20;1-20(2,3)31-19(30)29-8-6-14(7-9-29)16-5-4-13(11-26-16)10-17-27-12-15(18(22)28-17)21(23,24)25;1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-5-4-12(16)10-17-13;6-3-2(5(8,9)10)1-11-4(7)12-3;;;;/h5-9,11,18-20,23H,10,12-17H2,1-4H3,(H2,36,41);5-9,11,18-20,23H,13-17H2,1-4H3,(H2,36,41);2-6,8,15-17,20,32H,7,9-14H2,1H3,(H2,31,36);4-5,11-12,14H,6-10H2,1-3H3;4-5,10-11H,6-9,16H2,1-3H3;1H;4*1H4.
What are the key properties of tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 2704.31 g/mol, XLogP of 29.25, 25 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 158448433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).