N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide

C101H85ClF8N30O10 — CID 159971354

About N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide

N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide (PubChem CID 159971354) has the molecular formula C101H85ClF8N30O10 and a molecular weight of 2066.43 g/mol. Its IUPAC name is N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• PubChem CID: 159971354
• Molecular Formula: C101H85ClF8N30O10
• Molecular Weight: 2066.43 g/mol
• Exact Mass: 2064.66
• IUPAC Name: N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2nc(Nc3cncc(OC)c3)ncc2C(F)(F)F)ccc1Cl.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4cn[nH]c4c3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cncc(OC)c3)ncc2C(F)(F)F)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(OC)c3)ncc2OC)c1
• InChI: InChI=1S/C21H20N4O4.C20H16ClF3N6O2.C20H17F3N6O2.2C20H16FN7O/c1-4-19(26)23-14-7-6-10-17(12-14)29-20-18(28-3)13-22-21(25-20)24-15-8-5-9-16(11-15)27-2;1-3-17(31)29-16-7-11(4-5-15(16)21)27-18-14(20(22,23)24)10-26-19(30-18)28-12-6-13(32-2)9-25-8-12;1-3-17(30)26-12-5-4-6-13(7-12)27-18-16(20(21,22)23)11-25-19(29-18)28-14-8-15(31-2)10-24-9-14;1-2-18(29)24-13-4-3-5-14(9-13)25-19-16(21)11-22-20(27-19)26-15-6-7-17-12(8-15)10-23-28-17;1-2-18(29)24-13-4-3-5-14(8-13)25-19-16(21)11-22-20(27-19)26-15-7-6-12-10-23-28-17(12)9-15/h4-13H,1H2,2-3H3,(H,23,26)(H,22,24,25);3-10H,1H2,2H3,(H,29,31)(H2,26,27,28,30);3-11H,1H2,2H3,(H,26,30)(H2,25,27,28,29);2*2-11H,1H2,(H,23,28)(H,24,29)(H2,22,25,26,27)
• InChIKey: OEOWJSLRHQUSHM-UHFFFAOYSA-N
• XLogP: 22.04
• TPSA: 511.96 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 33
• Rotatable Bonds: 34
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2066.43
LogP ≤ 5	22.04
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The IUPAC name of N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide (CID 159971354) is N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nc(Nc3cncc(OC)c3)ncc2C(F)(F)F)ccc1Cl.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4cn[nH]c4c3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cncc(OC)c3)ncc2C(F)(F)F)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(OC)c3)ncc2OC)c1.

What is the InChIKey of N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The InChIKey is OEOWJSLRHQUSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4.C20H16ClF3N6O2.C20H17F3N6O2.2C20H16FN7O/c1-4-19(26)23-14-7-6-10-17(12-14)29-20-18(28-3)13-22-21(25-20)24-15-8-5-9-16(11-15)27-2;1-3-17(31)29-16-7-11(4-5-15(16)21)27-18-14(20(22,23)24)10-26-19(30-18)28-12-6-13(32-2)9-25-8-12;1-3-17(30)26-12-5-4-6-13(7-12)27-18-16(20(21,22)23)11-25-19(29-18)28-14-8-15(31-2)10-24-9-14;1-2-18(29)24-13-4-3-5-14(9-13)25-19-16(21)11-22-20(27-19)26-15-6-7-17-12(8-15)10-23-28-17;1-2-18(29)24-13-4-3-5-14(8-13)25-19-16(21)11-22-20(27-19)26-15-7-6-12-10-23-28-17(12)9-15/h4-13H,1H2,2-3H3,(H,23,26)(H,22,24,25);3-10H,1H2,2H3,(H,29,31)(H2,26,27,28,30);3-11H,1H2,2H3,(H,26,30)(H2,25,27,28,29);2*2-11H,1H2,(H,23,28)(H,24,29)(H2,22,25,26,27).

What are the key properties of N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2066.43 g/mol, XLogP of 22.04, 34 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 159971354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).