tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride

C70H82Cl2F12N14O9 — CID 161476447

IUPACtert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride
SMILESC=CC(=O)Cc1ccc(C(=O)O)cc1.C=CC(=O)Nc1ccc(C(=O)N2CC[C@@H](Cc3ncc(C(F)(F)F)cn3)C2)cc1.CC(C)(C)OC(=O)N1CC[C@@H](Cc2ncc(C(F)(F)F)cn2)C1.CC(C)(C)OC(=O)N1CC[C@@H](N)C1.Cl.FC(F)(F)c1cnc(C[C@@H]2CCNC2)nc1.FC(F)(F)c1cnc(Cl)nc1
InChIInChI=1S/C20H19F3N4O2.C15H20F3N3O2.C11H10O3.C10H12F3N3.C9H18N2O2.C5H2ClF3N2.ClH/c1-2-18(28)26-16-5-3-14(4-6-16)19(29)27-8-7-13(12-27)9-17-24-10-15(11-25-17)20(21,22)23;1-14(2,3)23-13(22)21-5-4-10(9-21)6-12-19-7-11(8-20-12)15(16,17)18;1-2-10(12)7-8-3-5-9(6-4-8)11(13)14;11-10(12,13)8-5-15-9(16-6-8)3-7-1-2-14-4-7;1-9(2,3)13-8(12)11-5-4-7(10)6-11;6-4-10-1-3(2-11-4)5(7,8)9;/h2-6,10-11,13H,1,7-9,12H2,(H,26,28);7-8,10H,4-6,9H2,1-3H3;2-6H,1,7H2,(H,13,14);5-7,14H,1-4H2;7H,4-6,10H2,1-3H3;1-2H;1H/t13-;10-;;2*7-;;/m00.01../s1
InChIKeyKSHDAMXXNVYCLV-LCNQXANYSA-N
MW1562.40 g/mol
LogP13.47
Rot. Bonds13

About tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride

tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride (PubChem CID 161476447) has the molecular formula C70H82Cl2F12N14O9 and a molecular weight of 1562.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride.

Molecular Properties

Compound Nametert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride
PubChem CID161476447
Molecular FormulaC70H82Cl2F12N14O9
Molecular Weight1562.40 g/mol
Exact Mass1560.56
IUPAC Nametert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride
SMILESC=CC(=O)Cc1ccc(C(=O)O)cc1.C=CC(=O)Nc1ccc(C(=O)N2CC[C@@H](Cc3ncc(C(F)(F)F)cn3)C2)cc1.CC(C)(C)OC(=O)N1CC[C@@H](Cc2ncc(C(F)(F)F)cn2)C1.CC(C)(C)OC(=O)N1CC[C@@H](N)C1.Cl.FC(F)(F)c1cnc(C[C@@H]2CCNC2)nc1.FC(F)(F)c1cnc(Cl)nc1
InChIInChI=1S/C20H19F3N4O2.C15H20F3N3O2.C11H10O3.C10H12F3N3.C9H18N2O2.C5H2ClF3N2.ClH/c1-2-18(28)26-16-5-3-14(4-6-16)19(29)27-8-7-13(12-27)9-17-24-10-15(11-25-17)20(21,22)23;1-14(2,3)23-13(22)21-5-4-10(9-21)6-12-19-7-11(8-20-12)15(16,17)18;1-2-10(12)7-8-3-5-9(6-4-8)11(13)14;11-10(12,13)8-5-15-9(16-6-8)3-7-1-2-14-4-7;1-9(2,3)13-8(12)11-5-4-7(10)6-11;6-4-10-1-3(2-11-4)5(7,8)9;/h2-6,10-11,13H,1,7-9,12H2,(H,26,28);7-8,10H,4-6,9H2,1-3H3;2-6H,1,7H2,(H,13,14);5-7,14H,1-4H2;7H,4-6,10H2,1-3H3;1-2H;1H/t13-;10-;;2*7-;;/m00.01../s1
InChIKeyKSHDAMXXNVYCLV-LCNQXANYSA-N
XLogP13.47
TPSA304.03 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001562.40
LogP ≤ 513.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride with MolForge

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Related Compounds

4-[[2-[2-[(1S,4S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-yl]-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]carbamoyl]benzoic acid
CID 67128220
tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-4-methylpyrimidin-2-yl)methyl]pyrrolidine-1-carboxylate;N-[4-[(3S)-3-[(5-chloro-4-methylpyrimidin-2-yl)methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;5-chloro-4-methyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine;2,5-dichloro-4-methylpyrimidine;4-(prop-2-enoylamino)benzoic acid;2,2,2-trifluoroacetaldehyde
CID 158345445
tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]pyrrolidine-1-carboxylate;2-chloro-5-cyclopropylpyrimidine;N-[4-[(3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine;4-(prop-2-enoylamino)benzoic acid;2,2,2-trifluoroacetaldehyde
CID 158896165
tert-butyl 3-[2-[[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]pyrimidin-4-yl]piperidine-1-carboxylate;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-prop-2-enoylpiperidin-3-yl)pyrimidin-2-yl]methyl]benzamide;4-methyl-3-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrimidin-2-yl]amino]benzoic acid
CID 159095178
(4-aminophenyl)-[(3S)-3-[(5-chloropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methanone;(E)-N-[4-[(3S)-3-[(5-chloropyrimidin-2-yl)methyl]pyrrolidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide;[(3S)-3-[(5-chloropyrimidin-2-yl)methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone;5-chloro-2-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine;(E)-4-(dimethylamino)but-2-enoyl chloride;4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid;bis(2,2,2-trifluoroacetaldehyde)
CID 159950055
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 161140538
tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[(5-methylpyrimidin-2-yl)methyl]pyrrolidine-1-carboxylate;2-chloro-5-methylpyrimidine;N-[4-[(3S)-3-[(5-methylpyrimidin-2-yl)methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;5-methyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine;4-(prop-2-enoylamino)benzoic acid;2,2,2-trifluoroacetaldehyde
CID 161816300
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]ethyl]indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 162040701
Lithium;2-aminoacetonitrile;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;4-[5-methyl-2-[[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[4-[5-methyl-2-[[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine;hydroxide;hydrate;hydrochloride
CID 167584219
lithium;2-aminoacetonitrile;N-(cyanomethyl)-4-[2-[[1-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzamide;deuterio(fluoro)methane;4-[2-[[1-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoic acid;2,2-difluorocyclopropane-1-carboxylic acid;methane;methyl 4-[2-[[1-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoate;methyl 4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide;dihydrochloride
CID 167643981
4-[[2-[2-[5-[(2-Methylpropan-2-yl)oxycarbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]benzoic acid
CID 67128013
tert-butyl (3R,4S)-3-amino-4-methylpyrrolidine-1-carboxylate;tert-butyl (3R,4R)-3-methyl-4-(quinazolin-2-ylmethyl)pyrrolidine-1-carboxylate;2-chloroquinazoline;methane;2-[[(3R,4R)-4-methylpyrrolidin-3-yl]methyl]quinazoline;N-[4-[(3R,4R)-3-methyl-4-(quinazolin-2-ylmethyl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;4-(prop-2-enoylamino)benzoic acid
CID 157286497

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride?
The IUPAC name of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride (CID 161476447) is tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride.
What is the SMILES notation for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride?
The canonical SMILES for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride is C=CC(=O)Cc1ccc(C(=O)O)cc1.C=CC(=O)Nc1ccc(C(=O)N2CC[C@@H](Cc3ncc(C(F)(F)F)cn3)C2)cc1.CC(C)(C)OC(=O)N1CC[C@@H](Cc2ncc(C(F)(F)F)cn2)C1.CC(C)(C)OC(=O)N1CC[C@@H](N)C1.Cl.FC(F)(F)c1cnc(C[C@@H]2CCNC2)nc1.FC(F)(F)c1cnc(Cl)nc1.
What is the InChIKey of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride?
The InChIKey is KSHDAMXXNVYCLV-LCNQXANYSA-N. The full InChI is InChI=1S/C20H19F3N4O2.C15H20F3N3O2.C11H10O3.C10H12F3N3.C9H18N2O2.C5H2ClF3N2.ClH/c1-2-18(28)26-16-5-3-14(4-6-16)19(29)27-8-7-13(12-27)9-17-24-10-15(11-25-17)20(21,22)23;1-14(2,3)23-13(22)21-5-4-10(9-21)6-12-19-7-11(8-20-12)15(16,17)18;1-2-10(12)7-8-3-5-9(6-4-8)11(13)14;11-10(12,13)8-5-15-9(16-6-8)3-7-1-2-14-4-7;1-9(2,3)13-8(12)11-5-4-7(10)6-11;6-4-10-1-3(2-11-4)5(7,8)9;/h2-6,10-11,13H,1,7-9,12H2,(H,26,28);7-8,10H,4-6,9H2,1-3H3;2-6H,1,7H2,(H,13,14);5-7,14H,1-4H2;7H,4-6,10H2,1-3H3;1-2H;1H/t13-;10-;;2*7-;;/m00.01../s1.
What are the key properties of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride?
tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride has a molecular weight of 1562.40 g/mol, XLogP of 13.47, 13 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-(trifluoromethyl)pyrimidine;4-(2-oxobut-3-enyl)benzoic acid;2-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine;N-[4-[(3S)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 161476447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).