1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one

C158H148Cl2FN31O8 — CID 157338085

IUPAC1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one
SMILES[C-]#[N+]c1ccc(CC(=O)C=C)cc1-c1nc(Nc2cccc(N3CCCCC3)c2)ncc1[N+]#[C-].[C-]#[N+]c1cnc(Nc2ccc(Cl)c(N3CCCCC3)c2)nc1-c1cccc(CC(=O)C=C)c1.[C-]#[N+]c1cnc(Nc2ccc(F)c(N3CCCCC3)c2)nc1-c1cccc(CC(=O)C=C)c1.[C-]#[N+]c1cnc(Nc2ccc(O)c(N3CCCCC3)c2)nc1-c1cccc(CC(=O)C=C)c1.[C-]#[N+]c1cnc(Nc2cccc(N3CCCCC3)c2)nc1-c1cc(CC(=O)C=C)ccc1Cl.[C-]#[N+]c1cnc(Nc2cccc(N3CCCCC3)c2)nc1-c1cc(CC(=O)C=C)ccc1OC
InChIInChI=1S/C27H24N6O.C27H27N5O2.2C26H24ClN5O.C26H24FN5O.C26H25N5O2/c1-4-22(34)15-19-11-12-24(28-2)23(16-19)26-25(29-3)18-30-27(32-26)31-20-9-8-10-21(17-20)33-13-6-5-7-14-33;1-4-22(33)15-19-11-12-25(34-3)23(16-19)26-24(28-2)18-29-27(31-26)30-20-9-8-10-21(17-20)32-13-6-5-7-14-32;1-3-21(33)14-18-10-11-23(27)22(15-18)25-24(28-2)17-29-26(31-25)30-19-8-7-9-20(16-19)32-12-5-4-6-13-32;2*1-3-21(33)15-18-8-7-9-19(14-18)25-23(28-2)17-29-26(31-25)30-20-10-11-22(27)24(16-20)32-12-5-4-6-13-32;1-3-21(32)15-18-8-7-9-19(14-18)25-22(27-2)17-28-26(30-25)29-20-10-11-24(33)23(16-20)31-12-5-4-6-13-31/h4,8-12,16-18H,1,5-7,13-15H2,(H,30,31,32);4,8-12,16-18H,1,5-7,13-15H2,3H3,(H,29,30,31);3,7-11,15-17H,1,4-6,12-14H2,(H,29,30,31);2*3,7-11,14,16-17H,1,4-6,12-13,15H2,(H,29,30,31);3,7-11,14,16-17,33H,1,4-6,12-13,15H2,(H,28,29,30)
InChIKeyBGBPIXIBTCBNCP-UHFFFAOYSA-N
MW2699.03 g/mol
LogP36.07
Rot. Bonds43

About 1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one

1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one (PubChem CID 157338085) has the molecular formula C158H148Cl2FN31O8 and a molecular weight of 2699.03 g/mol. Its IUPAC name is 1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one.

Molecular Properties

Compound Name1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one
PubChem CID157338085
Molecular FormulaC158H148Cl2FN31O8
Molecular Weight2699.03 g/mol
Exact Mass2696.15
IUPAC Name1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one
SMILES[C-]#[N+]c1ccc(CC(=O)C=C)cc1-c1nc(Nc2cccc(N3CCCCC3)c2)ncc1[N+]#[C-].[C-]#[N+]c1cnc(Nc2ccc(Cl)c(N3CCCCC3)c2)nc1-c1cccc(CC(=O)C=C)c1.[C-]#[N+]c1cnc(Nc2ccc(F)c(N3CCCCC3)c2)nc1-c1cccc(CC(=O)C=C)c1.[C-]#[N+]c1cnc(Nc2ccc(O)c(N3CCCCC3)c2)nc1-c1cccc(CC(=O)C=C)c1.[C-]#[N+]c1cnc(Nc2cccc(N3CCCCC3)c2)nc1-c1cc(CC(=O)C=C)ccc1Cl.[C-]#[N+]c1cnc(Nc2cccc(N3CCCCC3)c2)nc1-c1cc(CC(=O)C=C)ccc1OC
InChIInChI=1S/C27H24N6O.C27H27N5O2.2C26H24ClN5O.C26H24FN5O.C26H25N5O2/c1-4-22(34)15-19-11-12-24(28-2)23(16-19)26-25(29-3)18-30-27(32-26)31-20-9-8-10-21(17-20)33-13-6-5-7-14-33;1-4-22(33)15-19-11-12-25(34-3)23(16-19)26-24(28-2)18-29-27(31-26)30-20-9-8-10-21(17-20)32-13-6-5-7-14-32;1-3-21(33)14-18-10-11-23(27)22(15-18)25-24(28-2)17-29-26(31-25)30-19-8-7-9-20(16-19)32-12-5-4-6-13-32;2*1-3-21(33)15-18-8-7-9-19(14-18)25-23(28-2)17-29-26(31-25)30-20-10-11-22(27)24(16-20)32-12-5-4-6-13-32;1-3-21(32)15-18-8-7-9-19(14-18)25-22(27-2)17-28-26(30-25)29-20-10-11-24(33)23(16-20)31-12-5-4-6-13-31/h4,8-12,16-18H,1,5-7,13-15H2,(H,30,31,32);4,8-12,16-18H,1,5-7,13-15H2,3H3,(H,29,30,31);3,7-11,15-17H,1,4-6,12-14H2,(H,29,30,31);2*3,7-11,14,16-17H,1,4-6,12-13,15H2,(H,29,30,31);3,7-11,14,16-17,33H,1,4-6,12-13,15H2,(H,28,29,30)
InChIKeyBGBPIXIBTCBNCP-UHFFFAOYSA-N
XLogP36.07
TPSA408.70 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds43
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002699.03
LogP ≤ 536.07
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one?
The IUPAC name of 1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one (CID 157338085) is 1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one.
What is the SMILES notation for 1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one?
The canonical SMILES for 1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one is [C-]#[N+]c1ccc(CC(=O)C=C)cc1-c1nc(Nc2cccc(N3CCCCC3)c2)ncc1[N+]#[C-].[C-]#[N+]c1cnc(Nc2ccc(Cl)c(N3CCCCC3)c2)nc1-c1cccc(CC(=O)C=C)c1.[C-]#[N+]c1cnc(Nc2ccc(F)c(N3CCCCC3)c2)nc1-c1cccc(CC(=O)C=C)c1.[C-]#[N+]c1cnc(Nc2ccc(O)c(N3CCCCC3)c2)nc1-c1cccc(CC(=O)C=C)c1.[C-]#[N+]c1cnc(Nc2cccc(N3CCCCC3)c2)nc1-c1cc(CC(=O)C=C)ccc1Cl.[C-]#[N+]c1cnc(Nc2cccc(N3CCCCC3)c2)nc1-c1cc(CC(=O)C=C)ccc1OC.
What is the InChIKey of 1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one?
The InChIKey is BGBPIXIBTCBNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O.C27H27N5O2.2C26H24ClN5O.C26H24FN5O.C26H25N5O2/c1-4-22(34)15-19-11-12-24(28-2)23(16-19)26-25(29-3)18-30-27(32-26)31-20-9-8-10-21(17-20)33-13-6-5-7-14-33;1-4-22(33)15-19-11-12-25(34-3)23(16-19)26-24(28-2)18-29-27(31-26)30-20-9-8-10-21(17-20)32-13-6-5-7-14-32;1-3-21(33)14-18-10-11-23(27)22(15-18)25-24(28-2)17-29-26(31-25)30-19-8-7-9-20(16-19)32-12-5-4-6-13-32;2*1-3-21(33)15-18-8-7-9-19(14-18)25-23(28-2)17-29-26(31-25)30-20-10-11-22(27)24(16-20)32-12-5-4-6-13-32;1-3-21(32)15-18-8-7-9-19(14-18)25-22(27-2)17-28-26(30-25)29-20-10-11-24(33)23(16-20)31-12-5-4-6-13-31/h4,8-12,16-18H,1,5-7,13-15H2,(H,30,31,32);4,8-12,16-18H,1,5-7,13-15H2,3H3,(H,29,30,31);3,7-11,15-17H,1,4-6,12-14H2,(H,29,30,31);2*3,7-11,14,16-17H,1,4-6,12-13,15H2,(H,29,30,31);3,7-11,14,16-17,33H,1,4-6,12-13,15H2,(H,28,29,30).
What are the key properties of 1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one?
1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one has a molecular weight of 2699.03 g/mol, XLogP of 36.07, 43 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-chloro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-hydroxy-3-piperidin-1-ylanilino)-5-isocyanopyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[5-isocyano-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]but-3-en-2-one is sourced from PubChem (CID 157338085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).