(3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride

C124H173BCl7F3N26O14Sn — CID 167649757

IUPAC(3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1cc(Cl)cc(N2CCOCC2)n1.CC(=O)c1cc(Cl)cc(N2CCOCC2)n1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(N)n4)nc(N4CCOCC4)c3)c2)C1.CN(C)/C=C/C(=O)c1cc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cl.Clc1cc(Cl)nc(N2CCOCC2)c1.Nc1nccc(-c2cc(Cl)cc(N3CCOCC3)n2)n1.[H]N=C(N)N
InChIInChI=1S/C27H33N7O2.C20H28BF3N2O3.C14H18ClN3O2.C13H14ClN5O.C13H17ClN2O2.C11H13ClN2O2.C9H10Cl2N2O.C4H7O.3C4H9.CH5N3.ClH.Sn/c1-3-19-7-9-34(17-19)27(35)30-21-5-4-18(2)22(16-21)20-14-24(23-6-8-29-26(28)32-23)31-25(15-20)33-10-12-36-13-11-33;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;1-17(2)4-3-13(19)12-9-11(15)10-14(16-12)18-5-7-20-8-6-18;14-9-7-11(10-1-2-16-13(15)18-10)17-12(8-9)19-3-5-20-6-4-19;1-3-18-10(2)12-8-11(14)9-13(15-12)16-4-6-17-7-5-16;1-8(15)10-6-9(12)7-11(13-10)14-2-4-16-5-3-14;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-3-5-4-2;3*1-3-4-2;2-1(3)4;;/h4-6,8,14-16,19H,3,7,9-13,17H2,1-2H3,(H,30,35)(H2,28,29,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);3-4,9-10H,5-8H2,1-2H3;1-2,7-8H,3-6H2,(H2,15,16,18);8-9H,2-7H2,1H3;6-7H,2-5H2,1H3;5-6H,1-4H2;1,4H2,2H3;3*1,3-4H2,2H3;(H5,2,3,4);1H;/b;;4-3+;;;;;;;;;;;/t19-;14-;;;;;;;;;;;;/m10............/s1
InChIKeyMSULLTQPRMQQOV-FYKOQYEPSA-N
MW2686.60 g/mol
LogP23.50
Rot. Bonds33

About (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride

(3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride (PubChem CID 167649757) has the molecular formula C124H173BCl7F3N26O14Sn and a molecular weight of 2686.60 g/mol. Its IUPAC name is (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride.

Molecular Properties

Compound Name(3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride
PubChem CID167649757
Molecular FormulaC124H173BCl7F3N26O14Sn
Molecular Weight2686.60 g/mol
Exact Mass2683.05
IUPAC Name(3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1cc(Cl)cc(N2CCOCC2)n1.CC(=O)c1cc(Cl)cc(N2CCOCC2)n1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(N)n4)nc(N4CCOCC4)c3)c2)C1.CN(C)/C=C/C(=O)c1cc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cl.Clc1cc(Cl)nc(N2CCOCC2)c1.Nc1nccc(-c2cc(Cl)cc(N3CCOCC3)n2)n1.[H]N=C(N)N
InChIInChI=1S/C27H33N7O2.C20H28BF3N2O3.C14H18ClN3O2.C13H14ClN5O.C13H17ClN2O2.C11H13ClN2O2.C9H10Cl2N2O.C4H7O.3C4H9.CH5N3.ClH.Sn/c1-3-19-7-9-34(17-19)27(35)30-21-5-4-18(2)22(16-21)20-14-24(23-6-8-29-26(28)32-23)31-25(15-20)33-10-12-36-13-11-33;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;1-17(2)4-3-13(19)12-9-11(15)10-14(16-12)18-5-7-20-8-6-18;14-9-7-11(10-1-2-16-13(15)18-10)17-12(8-9)19-3-5-20-6-4-19;1-3-18-10(2)12-8-11(14)9-13(15-12)16-4-6-17-7-5-16;1-8(15)10-6-9(12)7-11(13-10)14-2-4-16-5-3-14;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-3-5-4-2;3*1-3-4-2;2-1(3)4;;/h4-6,8,14-16,19H,3,7,9-13,17H2,1-2H3,(H,30,35)(H2,28,29,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);3-4,9-10H,5-8H2,1-2H3;1-2,7-8H,3-6H2,(H2,15,16,18);8-9H,2-7H2,1H3;6-7H,2-5H2,1H3;5-6H,1-4H2;1,4H2,2H3;3*1,3-4H2,2H3;(H5,2,3,4);1H;/b;;4-3+;;;;;;;;;;;/t19-;14-;;;;;;;;;;;;/m10............/s1
InChIKeyMSULLTQPRMQQOV-FYKOQYEPSA-N
XLogP23.50
TPSA470.63 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002686.60
LogP ≤ 523.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride with MolForge

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Related Compounds

tert-butyl 3-[6-(5-methylpyrimidin-2-yl)pyrimidin-4-yl]propanoate;(6-chloropyrimidin-4-yl)methanol;2-[(6-chloropyrimidin-4-yl)methyl]isoindole-1,3-dione;isoindole-1,3-dione;methanol;methyl 6-chloropyrimidine-4-carboxylate;methyl 6-oxo-1H-pyrimidine-4-carboxylate;bis([6-(5-methylpyrimidin-2-yl)pyrimidin-4-yl]methanamine);2-[[6-(5-methylpyrimidin-2-yl)pyrimidin-4-yl]methyl]isoindole-1,3-dione;6-oxo-1H-pyrimidine-4-carboxylic acid;thionyl dichloride;[4-(trifluoromethyl)phenyl]boronic acid;hydrochloride
CID 157413350
2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)imidazole-1-carboxylate;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-imidazol-5-yl)-2-pyridinyl]morpholine;(3R)-3-ethyl-N-[3-[2-(1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;formamide;(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
CID 164964646
(3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;(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
CID 164967087
(3S)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;tributyl(1-ethoxyethenyl)stannane;hydrochloride
CID 165025465
carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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
CID 167704997

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride?
The IUPAC name of (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride (CID 167649757) is (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride.
What is the SMILES notation for (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride?
The canonical SMILES for (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride is C=C(OCC)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1cc(Cl)cc(N2CCOCC2)n1.CC(=O)c1cc(Cl)cc(N2CCOCC2)n1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(N)n4)nc(N4CCOCC4)c3)c2)C1.CN(C)/C=C/C(=O)c1cc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cl.Clc1cc(Cl)nc(N2CCOCC2)c1.Nc1nccc(-c2cc(Cl)cc(N3CCOCC3)n2)n1.[H]N=C(N)N.
What is the InChIKey of (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride?
The InChIKey is MSULLTQPRMQQOV-FYKOQYEPSA-N. The full InChI is InChI=1S/C27H33N7O2.C20H28BF3N2O3.C14H18ClN3O2.C13H14ClN5O.C13H17ClN2O2.C11H13ClN2O2.C9H10Cl2N2O.C4H7O.3C4H9.CH5N3.ClH.Sn/c1-3-19-7-9-34(17-19)27(35)30-21-5-4-18(2)22(16-21)20-14-24(23-6-8-29-26(28)32-23)31-25(15-20)33-10-12-36-13-11-33;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;1-17(2)4-3-13(19)12-9-11(15)10-14(16-12)18-5-7-20-8-6-18;14-9-7-11(10-1-2-16-13(15)18-10)17-12(8-9)19-3-5-20-6-4-19;1-3-18-10(2)12-8-11(14)9-13(15-12)16-4-6-17-7-5-16;1-8(15)10-6-9(12)7-11(13-10)14-2-4-16-5-3-14;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-3-5-4-2;3*1-3-4-2;2-1(3)4;;/h4-6,8,14-16,19H,3,7,9-13,17H2,1-2H3,(H,30,35)(H2,28,29,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);3-4,9-10H,5-8H2,1-2H3;1-2,7-8H,3-6H2,(H2,15,16,18);8-9H,2-7H2,1H3;6-7H,2-5H2,1H3;5-6H,1-4H2;1,4H2,2H3;3*1,3-4H2,2H3;(H5,2,3,4);1H;/b;;4-3+;;;;;;;;;;;/t19-;14-;;;;;;;;;;;;/m10............/s1.
What are the key properties of (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride?
(3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride has a molecular weight of 2686.60 g/mol, XLogP of 23.50, 33 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-[4-chloro-6-(1-ethoxyethenyl)-2-pyridinyl]morpholine;(E)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;4-(4,6-dichloro-2-pyridinyl)morpholine;guanidine;(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;tributyl(1-ethoxyethenyl)stannane;hydrochloride is sourced from PubChem (CID 167649757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).