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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

C121H116Cl2F4N30O15 — CID 158780974

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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide (PubChem CID 158780974) has the molecular formula C121H116Cl2F4N30O15 and a molecular weight of 2377.35 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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
• PubChem CID: 158780974
• Molecular Formula: C121H116Cl2F4N30O15
• Molecular Weight: 2377.35 g/mol
• Exact Mass: 2374.85
• 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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-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.C=CC(=O)Nc1cc(Nc2nccc(-c3c(C)n(C)c4ccccc34)n2)c(OC)cc1OCCN(C)C.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
• InChI: InChI=1S/C28H32N6O3.C24H21F3N6O3.2C23H21ClN6O3.C23H21FN6O3/c1-7-26(35)30-22-16-21(24(36-6)17-25(22)37-15-14-33(3)4)32-28-29-13-12-20(31-28)27-18(2)34(5)23-11-9-8-10-19(23)27;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/h7-13,16-17H,1,14-15H2,2-6H3,(H,30,35)(H,29,31,32);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)/b;10-8+;;10-8+
• InChIKey: IRBPJVQBCYAGBU-HXXYKPNTSA-N
• XLogP: 22.79
• TPSA: 506.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 38
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2377.35
LogP ≤ 5	22.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide (CID 158780974) 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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-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.C=CC(=O)Nc1cc(Nc2nccc(-c3c(C)n(C)c4ccccc34)n2)c(OC)cc1OCCN(C)C.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.

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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide?

The InChIKey is IRBPJVQBCYAGBU-HXXYKPNTSA-N. The full InChI is InChI=1S/C28H32N6O3.C24H21F3N6O3.2C23H21ClN6O3.C23H21FN6O3/c1-7-26(35)30-22-16-21(24(36-6)17-25(22)37-15-14-33(3)4)32-28-29-13-12-20(31-28)27-18(2)34(5)23-11-9-8-10-19(23)27;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/h7-13,16-17H,1,14-15H2,2-6H3,(H,30,35)(H,29,31,32);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)/b;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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide has a molecular weight of 2377.35 g/mol, XLogP of 22.79, 38 rotatable bonds, 10 hydrogen bond donors, and 40 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;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;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 158780974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).