2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide

C119H112Cl3F4N31O14S — CID 158033963

About 2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide

2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide (PubChem CID 158033963) has the molecular formula C119H112Cl3F4N31O14S and a molecular weight of 2414.83 g/mol. Its IUPAC name is 2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
• PubChem CID: 158033963
• Molecular Formula: C119H112Cl3F4N31O14S
• Molecular Weight: 2414.83 g/mol
• Exact Mass: 2411.77
• IUPAC Name: 2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
• SMILES: C=C(Cl)C(=O)Nc1cc(Nc2nccc(-c3c4ccccc4nn3C)n2)c(OC)cc1OC.C=C(F)C(=O)Nc1cc(Nc2nccc(-c3c4ccccc4nn3C)n2)c(OC)cc1OC.COc1cc(OC)c(Nc2nccc(-c3c4ccccc4nn3C)n2)cc1NC(=O)/C=C/C(F)(F)F.COc1cc(OC)c(Nc2nccc(-c3c4ccccc4nn3C)n2)cc1NC(=O)/C=C/Cl.COc1cc(SCCN(C)C)c(NC(=O)/C=C/Cl)cc1Nc1nccc(-c2c3ccccc3nn2C)n1
• InChI: InChI=1S/C26H28ClN7O2S.C24H21F3N6O3.2C23H21ClN6O3.C23H21FN6O3/c1-33(2)13-14-37-23-16-22(36-4)20(15-21(23)29-24(35)9-11-27)31-26-28-12-10-19(30-26)25-17-7-5-6-8-18(17)32-34(25)3;1-33-22(14-6-4-5-7-15(14)32-33)16-9-11-28-23(30-16)31-18-12-17(19(35-2)13-20(18)36-3)29-21(34)8-10-24(25,26)27;1-13(24)22(31)26-17-11-18(20(33-4)12-19(17)32-3)28-23-25-10-9-16(27-23)21-14-7-5-6-8-15(14)29-30(21)2;1-30-22(14-6-4-5-7-15(14)29-30)16-9-11-25-23(27-16)28-18-12-17(26-21(31)8-10-24)19(32-2)13-20(18)33-3;1-13(24)22(31)26-17-11-18(20(33-4)12-19(17)32-3)28-23-25-10-9-16(27-23)21-14-7-5-6-8-15(14)29-30(21)2/h5-12,15-16H,13-14H2,1-4H3,(H,29,35)(H,28,30,31);4-13H,1-3H3,(H,29,34)(H,28,30,31);5-12H,1H2,2-4H3,(H,26,31)(H,25,27,28);4-13H,1-3H3,(H,26,31)(H,25,27,28);5-12H,1H2,2-4H3,(H,26,31)(H,25,27,28)/b11-9+;10-8+;;10-8+
• InChIKey: FHNCBDPYNBDADS-CKGNDYMYSA-N
• XLogP: 23.15
• TPSA: 509.96 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 38
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2414.83
LogP ≤ 5	23.15
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide?

The IUPAC name of 2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide (CID 158033963) is 2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide.

What is the SMILES notation for 2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide?

The canonical SMILES for 2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide is C=C(Cl)C(=O)Nc1cc(Nc2nccc(-c3c4ccccc4nn3C)n2)c(OC)cc1OC.C=C(F)C(=O)Nc1cc(Nc2nccc(-c3c4ccccc4nn3C)n2)c(OC)cc1OC.COc1cc(OC)c(Nc2nccc(-c3c4ccccc4nn3C)n2)cc1NC(=O)/C=C/C(F)(F)F.COc1cc(OC)c(Nc2nccc(-c3c4ccccc4nn3C)n2)cc1NC(=O)/C=C/Cl.COc1cc(SCCN(C)C)c(NC(=O)/C=C/Cl)cc1Nc1nccc(-c2c3ccccc3nn2C)n1.

What is the InChIKey of 2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide?

The InChIKey is FHNCBDPYNBDADS-CKGNDYMYSA-N. The full InChI is InChI=1S/C26H28ClN7O2S.C24H21F3N6O3.2C23H21ClN6O3.C23H21FN6O3/c1-33(2)13-14-37-23-16-22(36-4)20(15-21(23)29-24(35)9-11-27)31-26-28-12-10-19(30-26)25-17-7-5-6-8-18(17)32-34(25)3;1-33-22(14-6-4-5-7-15(14)32-33)16-9-11-28-23(30-16)31-18-12-17(19(35-2)13-20(18)36-3)29-21(34)8-10-24(25,26)27;1-13(24)22(31)26-17-11-18(20(33-4)12-19(17)32-3)28-23-25-10-9-16(27-23)21-14-7-5-6-8-15(14)29-30(21)2;1-30-22(14-6-4-5-7-15(14)29-30)16-9-11-25-23(27-16)28-18-12-17(26-21(31)8-10-24)19(32-2)13-20(18)33-3;1-13(24)22(31)26-17-11-18(20(33-4)12-19(17)32-3)28-23-25-10-9-16(27-23)21-14-7-5-6-8-15(14)29-30(21)2/h5-12,15-16H,13-14H2,1-4H3,(H,29,35)(H,28,30,31);4-13H,1-3H3,(H,29,34)(H,28,30,31);5-12H,1H2,2-4H3,(H,26,31)(H,25,27,28);4-13H,1-3H3,(H,26,31)(H,25,27,28);5-12H,1H2,2-4H3,(H,26,31)(H,25,27,28)/b11-9+;10-8+;;10-8+;.

What are the key properties of 2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide?

2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide has a molecular weight of 2414.83 g/mol, XLogP of 23.15, 38 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide is sourced from PubChem (CID 158033963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).