1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one

C155H170Cl7F2N47O10 — CID 161085782

About 1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one

1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one (PubChem CID 161085782) has the molecular formula C155H170Cl7F2N47O10 and a molecular weight of 3137.55 g/mol. Its IUPAC name is 1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one.

Molecular Properties

• Compound Name: 1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one
• PubChem CID: 161085782
• Molecular Formula: C155H170Cl7F2N47O10
• Molecular Weight: 3137.55 g/mol
• Exact Mass: 3132.20
• IUPAC Name: 1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one
• SMILES: C=CC(=O)Cc1cccc(CNc2nc(Nc3cn(C)nc3C)ncc2Cl)c1.C=CC(=O)Cc1cccc(CNc2nc(Nc3cnn(C(C)F)c3)ncc2Cl)c1.C=CC(=O)Cc1cccc(CNc2nc(Nc3cnn(CC(=O)NC)c3)ncc2Cl)c1.C=CC(=O)Cc1cccc(CNc2nc(Nc3cnn(CC(=O)NCC)c3)ncc2Cl)c1.C=CC(=O)Cc1cccc(CNc2nc(Nc3cnn(CC(C)F)c3)ncc2Cl)c1.C=CC(=O)Cc1cccc(CNc2nc(Nc3cnn(CCN4CCCCC4)c3)ncc2Cl)c1.C=CC(=O)Cc1cccc(CNc2nc(Nc3cnn(CCN4CCN(C(C)=O)CC4)c3)ncc2Cl)c1
• InChI: InChI=1S/C26H31ClN8O2.C25H30ClN7O.C22H24ClN7O2.C21H22ClFN6O.C21H22ClN7O2.C20H20ClFN6O.C20H21ClN6O/c1-3-23(37)14-20-5-4-6-21(13-20)15-28-25-24(27)17-29-26(32-25)31-22-16-30-35(18-22)12-9-33-7-10-34(11-8-33)19(2)36;1-2-22(34)14-19-7-6-8-20(13-19)15-27-24-23(26)17-28-25(31-24)30-21-16-29-33(18-21)12-11-32-9-4-3-5-10-32;1-3-18(31)9-15-6-5-7-16(8-15)10-25-21-19(23)12-26-22(29-21)28-17-11-27-30(13-17)14-20(32)24-4-2;1-3-18(30)8-15-5-4-6-16(7-15)9-24-20-19(22)11-25-21(28-20)27-17-10-26-29(13-17)12-14(2)23;1-3-17(30)8-14-5-4-6-15(7-14)9-24-20-18(22)11-25-21(28-20)27-16-10-26-29(12-16)13-19(31)23-2;1-3-17(29)8-14-5-4-6-15(7-14)9-23-19-18(21)11-24-20(27-19)26-16-10-25-28(12-16)13(2)22;1-4-16(28)9-14-6-5-7-15(8-14)10-22-19-17(21)11-23-20(25-19)24-18-12-27(3)26-13(18)2/h3-6,13,16-18H,1,7-12,14-15H2,2H3,(H2,28,29,31,32);2,6-8,13,16-18H,1,3-5,9-12,14-15H2,(H2,27,28,30,31);3,5-8,11-13H,1,4,9-10,14H2,2H3,(H,24,32)(H2,25,26,28,29);3-7,10-11,13-14H,1,8-9,12H2,2H3,(H2,24,25,27,28);3-7,10-12H,1,8-9,13H2,2H3,(H,23,31)(H2,24,25,27,28);3-7,10-13H,1,8-9H2,2H3,(H2,23,24,26,27);4-8,11-12H,1,9-10H2,2-3H3,(H2,22,23,24,25)
• InChIKey: UGMJRDLGNPNSFX-UHFFFAOYSA-N
• XLogP: 26.08
• TPSA: 678.10 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 54
• Rotatable Bonds: 70
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3137.55
LogP ≤ 5	26.08
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one?

The IUPAC name of 1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one (CID 161085782) is 1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one.

What is the SMILES notation for 1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one?

The canonical SMILES for 1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one is C=CC(=O)Cc1cccc(CNc2nc(Nc3cn(C)nc3C)ncc2Cl)c1.C=CC(=O)Cc1cccc(CNc2nc(Nc3cnn(C(C)F)c3)ncc2Cl)c1.C=CC(=O)Cc1cccc(CNc2nc(Nc3cnn(CC(=O)NC)c3)ncc2Cl)c1.C=CC(=O)Cc1cccc(CNc2nc(Nc3cnn(CC(=O)NCC)c3)ncc2Cl)c1.C=CC(=O)Cc1cccc(CNc2nc(Nc3cnn(CC(C)F)c3)ncc2Cl)c1.C=CC(=O)Cc1cccc(CNc2nc(Nc3cnn(CCN4CCCCC4)c3)ncc2Cl)c1.C=CC(=O)Cc1cccc(CNc2nc(Nc3cnn(CCN4CCN(C(C)=O)CC4)c3)ncc2Cl)c1.

What is the InChIKey of 1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one?

The InChIKey is UGMJRDLGNPNSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN8O2.C25H30ClN7O.C22H24ClN7O2.C21H22ClFN6O.C21H22ClN7O2.C20H20ClFN6O.C20H21ClN6O/c1-3-23(37)14-20-5-4-6-21(13-20)15-28-25-24(27)17-29-26(32-25)31-22-16-30-35(18-22)12-9-33-7-10-34(11-8-33)19(2)36;1-2-22(34)14-19-7-6-8-20(13-19)15-27-24-23(26)17-28-25(31-24)30-21-16-29-33(18-21)12-11-32-9-4-3-5-10-32;1-3-18(31)9-15-6-5-7-16(8-15)10-25-21-19(23)12-26-22(29-21)28-17-11-27-30(13-17)14-20(32)24-4-2;1-3-18(30)8-15-5-4-6-16(7-15)9-24-20-19(22)11-25-21(28-20)27-17-10-26-29(13-17)12-14(2)23;1-3-17(30)8-14-5-4-6-15(7-14)9-24-20-18(22)11-25-21(28-20)27-16-10-26-29(12-16)13-19(31)23-2;1-3-17(29)8-14-5-4-6-15(7-14)9-23-19-18(21)11-24-20(27-19)26-16-10-25-28(12-16)13(2)22;1-4-16(28)9-14-6-5-7-15(8-14)10-22-19-17(21)11-23-20(25-19)24-18-12-27(3)26-13(18)2/h3-6,13,16-18H,1,7-12,14-15H2,2H3,(H2,28,29,31,32);2,6-8,13,16-18H,1,3-5,9-12,14-15H2,(H2,27,28,30,31);3,5-8,11-13H,1,4,9-10,14H2,2H3,(H,24,32)(H2,25,26,28,29);3-7,10-11,13-14H,1,8-9,12H2,2H3,(H2,24,25,27,28);3-7,10-12H,1,8-9,13H2,2H3,(H,23,31)(H2,24,25,27,28);3-7,10-13H,1,8-9H2,2H3,(H2,23,24,26,27);4-8,11-12H,1,9-10H2,2-3H3,(H2,22,23,24,25).

What are the key properties of 1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one?

1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one has a molecular weight of 3137.55 g/mol, XLogP of 26.08, 70 rotatable bonds, 16 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(1-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;1-[3-[[[5-chloro-2-[[1-(2-fluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-ethylacetamide;2-[4-[[5-chloro-4-[[3-(2-oxobut-3-enyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide;1-[3-[[[5-chloro-2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one is sourced from PubChem (CID 161085782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).