bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride

C162H204Cl7F16N30O24Pd- — CID 159130395

IUPACbis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(NCc2ccccc2)C(F)(F)C1.COCOc1ccc(Cl)c(-c2nc(Cl)c(C)c(-c3c(C)noc3C)n2)c1.COCOc1ccc(Cl)c(-c2nc(NC3CCN(C(=O)OC(C)(C)C)CC3(F)F)c(C)c(-c3c(C)noc3C)n2)c1.Cc1noc(C)c1-c1nc(-c2cc(O)ccc2Cl)nc(NC2CCN(C)CC2(F)F)c1C.Cc1noc(C)c1-c1nc(-c2cc(O)ccc2Cl)nc(NC2CCNCC2(F)F)c1C.Cc1noc(C)c1-c1nc(-c2cc(OC[C@H]3CO3)ccc2Cl)nc(NC2CCN(C)CC2(F)F)c1C.Cl.[CH3-].[Pd]
InChIInChI=1S/C28H34ClF2N5O5.C25H28ClF2N5O3.C22H24ClF2N5O2.C21H22ClF2N5O2.C18H17Cl2N3O3.C17H24F2N2O2.2C10H18F2N2O2.C10H15F2NO3.CH3.ClH.Pd/c1-15-23(22-16(2)35-41-17(22)3)33-25(19-12-18(39-14-38-7)8-9-20(19)29)34-24(15)32-21-10-11-36(13-28(21,30)31)26(37)40-27(4,5)6;1-13-22(21-14(2)32-36-15(21)3)30-24(18-9-16(5-6-19(18)26)34-10-17-11-35-17)31-23(13)29-20-7-8-33(4)12-25(20,27)28;1-11-19(18-12(2)29-32-13(18)3)27-21(15-9-14(31)5-6-16(15)23)28-20(11)26-17-7-8-30(4)10-22(17,24)25;1-10-18(17-11(2)29-31-12(17)3)27-20(14-8-13(30)4-5-15(14)22)28-19(10)26-16-6-7-25-9-21(16,23)24;1-9-16(15-10(2)23-26-11(15)3)21-18(22-17(9)20)13-7-12(25-8-24-4)5-6-14(13)19;1-16(2,3)23-15(22)21-10-9-14(17(18,19)12-21)20-11-13-7-5-4-6-8-13;2*1-9(2,3)16-8(15)14-5-4-7(13)10(11,12)6-14;1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13;;;/h8-9,12,21H,10-11,13-14H2,1-7H3,(H,32,33,34);5-6,9,17,20H,7-8,10-12H2,1-4H3,(H,29,30,31);5-6,9,17,31H,7-8,10H2,1-4H3,(H,26,27,28);4-5,8,16,25,30H,6-7,9H2,1-3H3,(H,26,27,28);5-7H,8H2,1-4H3;4-8,14,20H,9-12H2,1-3H3;2*7H,4-6,13H2,1-3H3;4-6H2,1-3H3;1H3;1H;/q;;;;;;;;;-1;;/t;17-,20?;;;;;;;;;;/m.0........../s1
InChIKeyFUDYTMRACLYSAF-WKTGIKKHSA-N
MW3614.16 g/mol
LogP34.96
Rot. Bonds30

About bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride

bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride (PubChem CID 159130395) has the molecular formula C162H204Cl7F16N30O24Pd- and a molecular weight of 3614.16 g/mol. Its IUPAC name is bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride.

Molecular Properties

Compound Namebis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride
PubChem CID159130395
Molecular FormulaC162H204Cl7F16N30O24Pd-
Molecular Weight3614.16 g/mol
Exact Mass3608.23
IUPAC Namebis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(NCc2ccccc2)C(F)(F)C1.COCOc1ccc(Cl)c(-c2nc(Cl)c(C)c(-c3c(C)noc3C)n2)c1.COCOc1ccc(Cl)c(-c2nc(NC3CCN(C(=O)OC(C)(C)C)CC3(F)F)c(C)c(-c3c(C)noc3C)n2)c1.Cc1noc(C)c1-c1nc(-c2cc(O)ccc2Cl)nc(NC2CCN(C)CC2(F)F)c1C.Cc1noc(C)c1-c1nc(-c2cc(O)ccc2Cl)nc(NC2CCNCC2(F)F)c1C.Cc1noc(C)c1-c1nc(-c2cc(OC[C@H]3CO3)ccc2Cl)nc(NC2CCN(C)CC2(F)F)c1C.Cl.[CH3-].[Pd]
InChIInChI=1S/C28H34ClF2N5O5.C25H28ClF2N5O3.C22H24ClF2N5O2.C21H22ClF2N5O2.C18H17Cl2N3O3.C17H24F2N2O2.2C10H18F2N2O2.C10H15F2NO3.CH3.ClH.Pd/c1-15-23(22-16(2)35-41-17(22)3)33-25(19-12-18(39-14-38-7)8-9-20(19)29)34-24(15)32-21-10-11-36(13-28(21,30)31)26(37)40-27(4,5)6;1-13-22(21-14(2)32-36-15(21)3)30-24(18-9-16(5-6-19(18)26)34-10-17-11-35-17)31-23(13)29-20-7-8-33(4)12-25(20,27)28;1-11-19(18-12(2)29-32-13(18)3)27-21(15-9-14(31)5-6-16(15)23)28-20(11)26-17-7-8-30(4)10-22(17,24)25;1-10-18(17-11(2)29-31-12(17)3)27-20(14-8-13(30)4-5-15(14)22)28-19(10)26-16-6-7-25-9-21(16,23)24;1-9-16(15-10(2)23-26-11(15)3)21-18(22-17(9)20)13-7-12(25-8-24-4)5-6-14(13)19;1-16(2,3)23-15(22)21-10-9-14(17(18,19)12-21)20-11-13-7-5-4-6-8-13;2*1-9(2,3)16-8(15)14-5-4-7(13)10(11,12)6-14;1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13;;;/h8-9,12,21H,10-11,13-14H2,1-7H3,(H,32,33,34);5-6,9,17,20H,7-8,10-12H2,1-4H3,(H,29,30,31);5-6,9,17,31H,7-8,10H2,1-4H3,(H,26,27,28);4-5,8,16,25,30H,6-7,9H2,1-3H3,(H,26,27,28);5-7H,8H2,1-4H3;4-8,14,20H,9-12H2,1-3H3;2*7H,4-6,13H2,1-3H3;4-6H2,1-3H3;1H3;1H;/q;;;;;;;;;-1;;/t;17-,20?;;;;;;;;;;/m.0........../s1
InChIKeyFUDYTMRACLYSAF-WKTGIKKHSA-N
XLogP34.96
TPSA653.66 Ų
H-Bond Donors10
H-Bond Acceptors49
Rotatable Bonds30
Heavy Atoms240
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003614.16
LogP ≤ 534.96
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride?
The IUPAC name of bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride (CID 159130395) is bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride.
What is the SMILES notation for bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride?
The canonical SMILES for bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride is CC(C)(C)OC(=O)N1CCC(=O)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(NCc2ccccc2)C(F)(F)C1.COCOc1ccc(Cl)c(-c2nc(Cl)c(C)c(-c3c(C)noc3C)n2)c1.COCOc1ccc(Cl)c(-c2nc(NC3CCN(C(=O)OC(C)(C)C)CC3(F)F)c(C)c(-c3c(C)noc3C)n2)c1.Cc1noc(C)c1-c1nc(-c2cc(O)ccc2Cl)nc(NC2CCN(C)CC2(F)F)c1C.Cc1noc(C)c1-c1nc(-c2cc(O)ccc2Cl)nc(NC2CCNCC2(F)F)c1C.Cc1noc(C)c1-c1nc(-c2cc(OC[C@H]3CO3)ccc2Cl)nc(NC2CCN(C)CC2(F)F)c1C.Cl.[CH3-].[Pd].
What is the InChIKey of bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride?
The InChIKey is FUDYTMRACLYSAF-WKTGIKKHSA-N. The full InChI is InChI=1S/C28H34ClF2N5O5.C25H28ClF2N5O3.C22H24ClF2N5O2.C21H22ClF2N5O2.C18H17Cl2N3O3.C17H24F2N2O2.2C10H18F2N2O2.C10H15F2NO3.CH3.ClH.Pd/c1-15-23(22-16(2)35-41-17(22)3)33-25(19-12-18(39-14-38-7)8-9-20(19)29)34-24(15)32-21-10-11-36(13-28(21,30)31)26(37)40-27(4,5)6;1-13-22(21-14(2)32-36-15(21)3)30-24(18-9-16(5-6-19(18)26)34-10-17-11-35-17)31-23(13)29-20-7-8-33(4)12-25(20,27)28;1-11-19(18-12(2)29-32-13(18)3)27-21(15-9-14(31)5-6-16(15)23)28-20(11)26-17-7-8-30(4)10-22(17,24)25;1-10-18(17-11(2)29-31-12(17)3)27-20(14-8-13(30)4-5-15(14)22)28-19(10)26-16-6-7-25-9-21(16,23)24;1-9-16(15-10(2)23-26-11(15)3)21-18(22-17(9)20)13-7-12(25-8-24-4)5-6-14(13)19;1-16(2,3)23-15(22)21-10-9-14(17(18,19)12-21)20-11-13-7-5-4-6-8-13;2*1-9(2,3)16-8(15)14-5-4-7(13)10(11,12)6-14;1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13;;;/h8-9,12,21H,10-11,13-14H2,1-7H3,(H,32,33,34);5-6,9,17,20H,7-8,10-12H2,1-4H3,(H,29,30,31);5-6,9,17,31H,7-8,10H2,1-4H3,(H,26,27,28);4-5,8,16,25,30H,6-7,9H2,1-3H3,(H,26,27,28);5-7H,8H2,1-4H3;4-8,14,20H,9-12H2,1-3H3;2*7H,4-6,13H2,1-3H3;4-6H2,1-3H3;1H3;1H;/q;;;;;;;;;-1;;/t;17-,20?;;;;;;;;;;/m.0........../s1.
What are the key properties of bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride?
bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride has a molecular weight of 3614.16 g/mol, XLogP of 34.96, 30 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;palladium;hydrochloride is sourced from PubChem (CID 159130395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).