bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide

C164H181Cl4F3N56O14 — CID 158818665

IUPACbis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide
SMILESCN(C/C=C/C(=O)Nc1cccc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)c1)CCOCCN=[N+]=[N-].CN(C/C=C/C(=O)Nc1cccc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)c1)CCOCCN=[N+]=[N-].CN(C/C=C/C(=O)Nc1cccc(Nc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1)CCOCCN=[N+]=[N-].CN(C/C=C/C(=O)Nc1cccc(Nc2cc(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncn2)c1)CCOCCN=[N+]=[N-].Cc1cccc(Nc2cc(Nc3cccc(NC(=O)/C=C/CN(C)CCOCCN=[N+]=[N-])c3)ncn2)c1.Cc1cccc(Nc2cc(Nc3cccc(NC(=O)/C=C/CN(C)CCOCCN=[N+]=[N-])n3)ncn2)c1
InChIInChI=1S/C32H33ClFN9O3.C31H33ClN10O3.C26H31N9O2.2C25H27ClFN9O2.C25H30N10O2/c1-43(14-16-45-15-12-38-42-35)13-4-9-32(44)41-26-8-3-7-25(18-26)39-30-20-31(37-22-36-30)40-27-10-11-29(28(33)19-27)46-21-23-5-2-6-24(34)17-23;1-42(15-17-44-16-13-37-41-33)14-5-9-31(43)40-24-8-4-7-23(18-24)38-29-20-30(36-22-35-29)39-25-10-11-28(27(32)19-25)45-21-26-6-2-3-12-34-26;1-20-6-3-7-21(16-20)31-24-18-25(29-19-28-24)32-22-8-4-9-23(17-22)33-26(36)10-5-12-35(2)13-15-37-14-11-30-34-27;2*1-36(11-13-38-12-9-31-35-28)10-3-6-25(37)34-19-5-2-4-18(14-19)32-23-16-24(30-17-29-23)33-20-7-8-22(27)21(26)15-20;1-19-6-3-7-20(16-19)30-23-17-24(28-18-27-23)32-21-8-4-9-22(31-21)33-25(36)10-5-12-35(2)13-15-37-14-11-29-34-26/h2-11,17-20,22H,12-16,21H2,1H3,(H,41,44)(H2,36,37,39,40);2-12,18-20,22H,13-17,21H2,1H3,(H,40,43)(H2,35,36,38,39);3-10,16-19H,11-15H2,1-2H3,(H,33,36)(H2,28,29,31,32);2*2-8,14-17H,9-13H2,1H3,(H,34,37)(H2,29,30,32,33);3-10,16-18H,11-15H2,1-2H3,(H3,27,28,30,31,32,33,36)/b9-4+;9-5+;10-5+;2*6-3+;10-5+
InChIKeyIVOZIQHMZHMJOQ-UXHCXRSLSA-N
MW3359.44 g/mol
LogP33.90
Rot. Bonds90

About bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide

bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide (PubChem CID 158818665) has the molecular formula C164H181Cl4F3N56O14 and a molecular weight of 3359.44 g/mol. Its IUPAC name is bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide.

Molecular Properties

Compound Namebis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide
PubChem CID158818665
Molecular FormulaC164H181Cl4F3N56O14
Molecular Weight3359.44 g/mol
Exact Mass3355.39
IUPAC Namebis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide
SMILESCN(C/C=C/C(=O)Nc1cccc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)c1)CCOCCN=[N+]=[N-].CN(C/C=C/C(=O)Nc1cccc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)c1)CCOCCN=[N+]=[N-].CN(C/C=C/C(=O)Nc1cccc(Nc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1)CCOCCN=[N+]=[N-].CN(C/C=C/C(=O)Nc1cccc(Nc2cc(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncn2)c1)CCOCCN=[N+]=[N-].Cc1cccc(Nc2cc(Nc3cccc(NC(=O)/C=C/CN(C)CCOCCN=[N+]=[N-])c3)ncn2)c1.Cc1cccc(Nc2cc(Nc3cccc(NC(=O)/C=C/CN(C)CCOCCN=[N+]=[N-])n3)ncn2)c1
InChIInChI=1S/C32H33ClFN9O3.C31H33ClN10O3.C26H31N9O2.2C25H27ClFN9O2.C25H30N10O2/c1-43(14-16-45-15-12-38-42-35)13-4-9-32(44)41-26-8-3-7-25(18-26)39-30-20-31(37-22-36-30)40-27-10-11-29(28(33)19-27)46-21-23-5-2-6-24(34)17-23;1-42(15-17-44-16-13-37-41-33)14-5-9-31(43)40-24-8-4-7-23(18-24)38-29-20-30(36-22-35-29)39-25-10-11-28(27(32)19-25)45-21-26-6-2-3-12-34-26;1-20-6-3-7-21(16-20)31-24-18-25(29-19-28-24)32-22-8-4-9-23(17-22)33-26(36)10-5-12-35(2)13-15-37-14-11-30-34-27;2*1-36(11-13-38-12-9-31-35-28)10-3-6-25(37)34-19-5-2-4-18(14-19)32-23-16-24(30-17-29-23)33-20-7-8-22(27)21(26)15-20;1-19-6-3-7-20(16-19)30-23-17-24(28-18-27-23)32-21-8-4-9-22(31-21)33-25(36)10-5-12-35(2)13-15-37-14-11-29-34-26/h2-11,17-20,22H,12-16,21H2,1H3,(H,41,44)(H2,36,37,39,40);2-12,18-20,22H,13-17,21H2,1H3,(H,40,43)(H2,35,36,38,39);3-10,16-19H,11-15H2,1-2H3,(H,33,36)(H2,28,29,31,32);2*2-8,14-17H,9-13H2,1H3,(H,34,37)(H2,29,30,32,33);3-10,16-18H,11-15H2,1-2H3,(H3,27,28,30,31,32,33,36)/b9-4+;9-5+;10-5+;2*6-3+;10-5+
InChIKeyIVOZIQHMZHMJOQ-UXHCXRSLSA-N
XLogP33.90
TPSA885.26 Ų
H-Bond Donors18
H-Bond Acceptors52
Rotatable Bonds90
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003359.44
LogP ≤ 533.90
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide?
The IUPAC name of bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide (CID 158818665) is bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide.
What is the SMILES notation for bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide?
The canonical SMILES for bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide is CN(C/C=C/C(=O)Nc1cccc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)c1)CCOCCN=[N+]=[N-].CN(C/C=C/C(=O)Nc1cccc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)c1)CCOCCN=[N+]=[N-].CN(C/C=C/C(=O)Nc1cccc(Nc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1)CCOCCN=[N+]=[N-].CN(C/C=C/C(=O)Nc1cccc(Nc2cc(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncn2)c1)CCOCCN=[N+]=[N-].Cc1cccc(Nc2cc(Nc3cccc(NC(=O)/C=C/CN(C)CCOCCN=[N+]=[N-])c3)ncn2)c1.Cc1cccc(Nc2cc(Nc3cccc(NC(=O)/C=C/CN(C)CCOCCN=[N+]=[N-])n3)ncn2)c1.
What is the InChIKey of bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide?
The InChIKey is IVOZIQHMZHMJOQ-UXHCXRSLSA-N. The full InChI is InChI=1S/C32H33ClFN9O3.C31H33ClN10O3.C26H31N9O2.2C25H27ClFN9O2.C25H30N10O2/c1-43(14-16-45-15-12-38-42-35)13-4-9-32(44)41-26-8-3-7-25(18-26)39-30-20-31(37-22-36-30)40-27-10-11-29(28(33)19-27)46-21-23-5-2-6-24(34)17-23;1-42(15-17-44-16-13-37-41-33)14-5-9-31(43)40-24-8-4-7-23(18-24)38-29-20-30(36-22-35-29)39-25-10-11-28(27(32)19-25)45-21-26-6-2-3-12-34-26;1-20-6-3-7-21(16-20)31-24-18-25(29-19-28-24)32-22-8-4-9-23(17-22)33-26(36)10-5-12-35(2)13-15-37-14-11-30-34-27;2*1-36(11-13-38-12-9-31-35-28)10-3-6-25(37)34-19-5-2-4-18(14-19)32-23-16-24(30-17-29-23)33-20-7-8-22(27)21(26)15-20;1-19-6-3-7-20(16-19)30-23-17-24(28-18-27-23)32-21-8-4-9-22(31-21)33-25(36)10-5-12-35(2)13-15-37-14-11-29-34-26/h2-11,17-20,22H,12-16,21H2,1H3,(H,41,44)(H2,36,37,39,40);2-12,18-20,22H,13-17,21H2,1H3,(H,40,43)(H2,35,36,38,39);3-10,16-19H,11-15H2,1-2H3,(H,33,36)(H2,28,29,31,32);2*2-8,14-17H,9-13H2,1H3,(H,34,37)(H2,29,30,32,33);3-10,16-18H,11-15H2,1-2H3,(H3,27,28,30,31,32,33,36)/b9-4+;9-5+;10-5+;2*6-3+;10-5+.
What are the key properties of bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide?
bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide has a molecular weight of 3359.44 g/mol, XLogP of 33.90, 90 rotatable bonds, 18 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for bis((E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide);(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;(E)-4-[2-(2-azidoethoxy)ethyl-methylamino]-N-[6-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-2-pyridinyl]but-2-enamide is sourced from PubChem (CID 158818665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).