N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

C121H135BrCl2F5N29O9 — CID 161212431

IUPACN-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCC45CCC(N)(CC4)CC5)cc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCC45CCC(N)(CC4)CC5)c3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCCN4CCOCC4)c3)ncc2F)c1.CN(C)C/C=C/C(=O)N1CCC[C@@H](Nc2nc(Nc3cccc(Cl)c3)ncc2F)C1.O=C(/C=C/CBr)N1CCC[C@@H](Nc2nc(Nc3cccc(Cl)c3)ncc2F)C1
InChIInChI=1S/2C28H31FN6O2.C25H27FN6O3.C21H26ClFN6O.C19H20BrClFN5O/c1-2-24(36)32-19-5-3-6-20(15-19)33-25-23(29)17-31-26(35-25)34-21-7-4-8-22(16-21)37-18-27-9-12-28(30,13-10-27)14-11-27;1-2-24(36)32-20-4-3-5-21(16-20)33-25-23(29)17-31-26(35-25)34-19-6-8-22(9-7-19)37-18-27-10-13-28(30,14-11-27)15-12-27;1-2-23(33)28-18-5-3-6-19(15-18)29-24-22(26)17-27-25(31-24)30-20-7-4-8-21(16-20)35-14-11-32-9-12-34-13-10-32;1-28(2)10-5-9-19(30)29-11-4-8-17(14-29)25-20-18(23)13-24-21(27-20)26-16-7-3-6-15(22)12-16;20-8-2-7-17(28)27-9-3-6-15(12-27)24-18-16(22)11-23-19(26-18)25-14-5-1-4-13(21)10-14/h2-8,15-17H,1,9-14,18,30H2,(H,32,36)(H2,31,33,34,35);2-9,16-17H,1,10-15,18,30H2,(H,32,36)(H2,31,33,34,35);2-8,15-17H,1,9-14H2,(H,28,33)(H2,27,29,30,31);3,5-7,9,12-13,17H,4,8,10-11,14H2,1-2H3,(H2,24,25,26,27);1-2,4-5,7,10-11,15H,3,6,8-9,12H2,(H2,23,24,25,26)/b;;;9-5+;7-2+/t;;;17-;15-/m...11/s1
InChIKeyUWKLABNDRLIIRD-YEXKAQFZSA-N
MW2385.40 g/mol
LogP23.15
Rot. Bonds41

About N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (PubChem CID 161212431) has the molecular formula C121H135BrCl2F5N29O9 and a molecular weight of 2385.40 g/mol. Its IUPAC name is N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
PubChem CID161212431
Molecular FormulaC121H135BrCl2F5N29O9
Molecular Weight2385.40 g/mol
Exact Mass2381.95
IUPAC NameN-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCC45CCC(N)(CC4)CC5)cc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCC45CCC(N)(CC4)CC5)c3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCCN4CCOCC4)c3)ncc2F)c1.CN(C)C/C=C/C(=O)N1CCC[C@@H](Nc2nc(Nc3cccc(Cl)c3)ncc2F)C1.O=C(/C=C/CBr)N1CCC[C@@H](Nc2nc(Nc3cccc(Cl)c3)ncc2F)C1
InChIInChI=1S/2C28H31FN6O2.C25H27FN6O3.C21H26ClFN6O.C19H20BrClFN5O/c1-2-24(36)32-19-5-3-6-20(15-19)33-25-23(29)17-31-26(35-25)34-21-7-4-8-22(16-21)37-18-27-9-12-28(30,13-10-27)14-11-27;1-2-24(36)32-20-4-3-5-21(16-20)33-25-23(29)17-31-26(35-25)34-19-6-8-22(9-7-19)37-18-27-10-13-28(30,14-11-27)15-12-27;1-2-23(33)28-18-5-3-6-19(15-18)29-24-22(26)17-27-25(31-24)30-20-7-4-8-21(16-20)35-14-11-32-9-12-34-13-10-32;1-28(2)10-5-9-19(30)29-11-4-8-17(14-29)25-20-18(23)13-24-21(27-20)26-16-7-3-6-15(22)12-16;20-8-2-7-17(28)27-9-3-6-15(12-27)24-18-16(22)11-23-19(26-18)25-14-5-1-4-13(21)10-14/h2-8,15-17H,1,9-14,18,30H2,(H,32,36)(H2,31,33,34,35);2-9,16-17H,1,10-15,18,30H2,(H,32,36)(H2,31,33,34,35);2-8,15-17H,1,9-14H2,(H,28,33)(H2,27,29,30,31);3,5-7,9,12-13,17H,4,8,10-11,14H2,1-2H3,(H2,24,25,26,27);1-2,4-5,7,10-11,15H,3,6,8-9,12H2,(H2,23,24,25,26)/b;;;9-5+;7-2+/t;;;17-;15-/m...11/s1
InChIKeyUWKLABNDRLIIRD-YEXKAQFZSA-N
XLogP23.15
TPSA472.56 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds41
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002385.40
LogP ≤ 523.15
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide with MolForge

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Related Compounds

N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 59174819
N-[3-[[2-[4-(1-bicyclo[2.2.2]octanylmethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;molecular nitrogen
CID 159555595
N-[3-[[2-[4-[[1-(2-aminoethyl)cyclohexyl]methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 129028244
N-[3-[[5-fluoro-2-[4-[(1-propylpyrrolidin-3-yl)amino]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 123286315
2-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]ethyl 4-methylpiperazine-1-carbodithioate
CID 155514194
N-[3-[[5-fluoro-4-[4-[(3S)-oxolan-3-yl]oxyanilino]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 59504910
N-[3-[[2-[4-[2-(2-aminoethoxy)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 129028251
N-[4-chloro-3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;(E)-N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-4-morpholin-4-ylbut-2-enamide
CID 159996663
N-[3-[[2-[4-[2-(4-amino-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 153244397
N-[3-[[2-[4-(2,2-dideuterio-2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 71609775
1-[(3R)-3-[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 59174676
1-[(3S)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 129012892

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (CID 161212431) is N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCC45CCC(N)(CC4)CC5)cc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCC45CCC(N)(CC4)CC5)c3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCCN4CCOCC4)c3)ncc2F)c1.CN(C)C/C=C/C(=O)N1CCC[C@@H](Nc2nc(Nc3cccc(Cl)c3)ncc2F)C1.O=C(/C=C/CBr)N1CCC[C@@H](Nc2nc(Nc3cccc(Cl)c3)ncc2F)C1.
What is the InChIKey of N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
The InChIKey is UWKLABNDRLIIRD-YEXKAQFZSA-N. The full InChI is InChI=1S/2C28H31FN6O2.C25H27FN6O3.C21H26ClFN6O.C19H20BrClFN5O/c1-2-24(36)32-19-5-3-6-20(15-19)33-25-23(29)17-31-26(35-25)34-21-7-4-8-22(16-21)37-18-27-9-12-28(30,13-10-27)14-11-27;1-2-24(36)32-20-4-3-5-21(16-20)33-25-23(29)17-31-26(35-25)34-19-6-8-22(9-7-19)37-18-27-10-13-28(30,14-11-27)15-12-27;1-2-23(33)28-18-5-3-6-19(15-18)29-24-22(26)17-27-25(31-24)30-20-7-4-8-21(16-20)35-14-11-32-9-12-34-13-10-32;1-28(2)10-5-9-19(30)29-11-4-8-17(14-29)25-20-18(23)13-24-21(27-20)26-16-7-3-6-15(22)12-16;20-8-2-7-17(28)27-9-3-6-15(12-27)24-18-16(22)11-23-19(26-18)25-14-5-1-4-13(21)10-14/h2-8,15-17H,1,9-14,18,30H2,(H,32,36)(H2,31,33,34,35);2-9,16-17H,1,10-15,18,30H2,(H,32,36)(H2,31,33,34,35);2-8,15-17H,1,9-14H2,(H,28,33)(H2,27,29,30,31);3,5-7,9,12-13,17H,4,8,10-11,14H2,1-2H3,(H2,24,25,26,27);1-2,4-5,7,10-11,15H,3,6,8-9,12H2,(H2,23,24,25,26)/b;;;9-5+;7-2+/t;;;17-;15-/m...11/s1.
What are the key properties of N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2385.40 g/mol, XLogP of 23.15, 41 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[3-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-bromo-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one;(E)-1-[(3R)-3-[[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;N-[3-[[5-fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 161212431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).