tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid

C135H192BF15I3N23O22 — CID 159262869

IUPACtert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid
SMILESC1COCCN1.CC(C)(C)OC(=O)N1CC(N)C(O)C1.CC1CN(C(=O)OC(C)(C)C)CC1O.CC1CN(c2cc(I)cc(F)n2)CC1O.CC1CN(c2cc(I)cc(N3CCOCC3)n2)CC1O.CC1CNCC1O.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)C(O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](C)[C@H](O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Fc1cc(I)cc(F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/2C28H36F3N5O3.C20H28BF3N2O3.C14H20IN3O2.C10H12FIN2O.C10H19NO3.C9H18N2O3.C5H2F2IN.C5H11NO.C4H9NO.C2HF3O2/c2*1-18-3-4-22(32-27(38)35-6-5-20(16-35)14-28(29,30)31)13-23(18)21-11-25(34-7-9-39-10-8-34)33-26(12-21)36-15-19(2)24(37)17-36;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-10-8-18(9-12(10)19)14-7-11(15)6-13(16-14)17-2-4-20-5-3-17;1-6-4-14(5-8(6)15)10-3-7(12)2-9(11)13-10;1-7-5-11(6-8(7)12)9(13)14-10(2,3)4;1-9(2,3)14-8(13)11-4-6(10)7(12)5-11;6-4-1-3(8)2-5(7)9-4;1-4-2-6-3-5(4)7;1-3-6-4-2-5-1;3-2(4,5)1(6)7/h2*3-4,11-13,19-20,24,37H,5-10,14-17H2,1-2H3,(H,32,38);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);6-7,10,12,19H,2-5,8-9H2,1H3;2-3,6,8,15H,4-5H2,1H3;7-8,12H,5-6H2,1-4H3;6-7,12H,4-5,10H2,1-3H3;1-2H;4-7H,2-3H2,1H3;5H,1-4H2;(H,6,7)/t19?,20-,24?;19-,20+,24-;14-;;;;;;;;/m010......../s1
InChIKeyPXQIYEZQUQHPEY-LPVREGOWSA-N
MW3165.65 g/mol
LogP19.07
Rot. Bonds16

About tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid

tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid (PubChem CID 159262869) has the molecular formula C135H192BF15I3N23O22 and a molecular weight of 3165.65 g/mol. Its IUPAC name is tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nametert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid
PubChem CID159262869
Molecular FormulaC135H192BF15I3N23O22
Molecular Weight3165.65 g/mol
Exact Mass3164.16
IUPAC Nametert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid
SMILESC1COCCN1.CC(C)(C)OC(=O)N1CC(N)C(O)C1.CC1CN(C(=O)OC(C)(C)C)CC1O.CC1CN(c2cc(I)cc(F)n2)CC1O.CC1CN(c2cc(I)cc(N3CCOCC3)n2)CC1O.CC1CNCC1O.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)C(O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](C)[C@H](O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Fc1cc(I)cc(F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/2C28H36F3N5O3.C20H28BF3N2O3.C14H20IN3O2.C10H12FIN2O.C10H19NO3.C9H18N2O3.C5H2F2IN.C5H11NO.C4H9NO.C2HF3O2/c2*1-18-3-4-22(32-27(38)35-6-5-20(16-35)14-28(29,30)31)13-23(18)21-11-25(34-7-9-39-10-8-34)33-26(12-21)36-15-19(2)24(37)17-36;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-10-8-18(9-12(10)19)14-7-11(15)6-13(16-14)17-2-4-20-5-3-17;1-6-4-14(5-8(6)15)10-3-7(12)2-9(11)13-10;1-7-5-11(6-8(7)12)9(13)14-10(2,3)4;1-9(2,3)14-8(13)11-4-6(10)7(12)5-11;6-4-1-3(8)2-5(7)9-4;1-4-2-6-3-5(4)7;1-3-6-4-2-5-1;3-2(4,5)1(6)7/h2*3-4,11-13,19-20,24,37H,5-10,14-17H2,1-2H3,(H,32,38);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);6-7,10,12,19H,2-5,8-9H2,1H3;2-3,6,8,15H,4-5H2,1H3;7-8,12H,5-6H2,1-4H3;6-7,12H,4-5,10H2,1-3H3;1-2H;4-7H,2-3H2,1H3;5H,1-4H2;(H,6,7)/t19?,20-,24?;19-,20+,24-;14-;;;;;;;;/m010......../s1
InChIKeyPXQIYEZQUQHPEY-LPVREGOWSA-N
XLogP19.07
TPSA527.60 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds16
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003165.65
LogP ≤ 519.07
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid (CID 159262869) is tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid is C1COCCN1.CC(C)(C)OC(=O)N1CC(N)C(O)C1.CC1CN(C(=O)OC(C)(C)C)CC1O.CC1CN(c2cc(I)cc(F)n2)CC1O.CC1CN(c2cc(I)cc(N3CCOCC3)n2)CC1O.CC1CNCC1O.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)C(O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](C)[C@H](O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Fc1cc(I)cc(F)n1.O=C(O)C(F)(F)F.
What is the InChIKey of tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is PXQIYEZQUQHPEY-LPVREGOWSA-N. The full InChI is InChI=1S/2C28H36F3N5O3.C20H28BF3N2O3.C14H20IN3O2.C10H12FIN2O.C10H19NO3.C9H18N2O3.C5H2F2IN.C5H11NO.C4H9NO.C2HF3O2/c2*1-18-3-4-22(32-27(38)35-6-5-20(16-35)14-28(29,30)31)13-23(18)21-11-25(34-7-9-39-10-8-34)33-26(12-21)36-15-19(2)24(37)17-36;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-10-8-18(9-12(10)19)14-7-11(15)6-13(16-14)17-2-4-20-5-3-17;1-6-4-14(5-8(6)15)10-3-7(12)2-9(11)13-10;1-7-5-11(6-8(7)12)9(13)14-10(2,3)4;1-9(2,3)14-8(13)11-4-6(10)7(12)5-11;6-4-1-3(8)2-5(7)9-4;1-4-2-6-3-5(4)7;1-3-6-4-2-5-1;3-2(4,5)1(6)7/h2*3-4,11-13,19-20,24,37H,5-10,14-17H2,1-2H3,(H,32,38);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);6-7,10,12,19H,2-5,8-9H2,1H3;2-3,6,8,15H,4-5H2,1H3;7-8,12H,5-6H2,1-4H3;6-7,12H,4-5,10H2,1-3H3;1-2H;4-7H,2-3H2,1H3;5H,1-4H2;(H,6,7)/t19?,20-,24?;19-,20+,24-;14-;;;;;;;;/m010......../s1.
What are the key properties of tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid?
tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 3165.65 g/mol, XLogP of 19.07, 16 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate;2,6-difluoro-4-iodopyridine;1-(6-fluoro-4-iodo-2-pyridinyl)-4-methylpyrrolidin-3-ol;(3S)-N-[3-[2-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-3-ol;4-methylpyrrolidin-3-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159262869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).