2-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide

C₁₄₃H₁₅₉Cl₂F₇N₃₂O₁₀ — CID 159460276

About 2-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide

2-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide (PubChem CID 159460276) has the molecular formula C₁₄₃H₁₅₉Cl₂F₇N₃₂O₁₀ and a molecular weight of 2689.95 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-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-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
• PubChem CID: 159460276
• Molecular Formula: C₁₄₃H₁₅₉Cl₂F₇N₃₂O₁₀
• Molecular Weight: 2689.95 g/mol
• Exact Mass: 2687.22
• IUPAC Name: 2-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-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(-c3c(C)n(C)c4ccccc34)n2)c(OC)cc1CCCN(C)C.C=C(F)C(=O)Nc1cc(Nc2nccc(-c3c(C)n(C)c4ccccc34)n2)c(OC)cc1CCCN(C)C.COc1cc(CCCN(C)C)c(NC(=O)/C=C/C(F)(F)F)cc1Nc1nccc(-c2c(C)n(C)c3ccccc23)n1.COc1cc(CCCN(C)C)c(NC(=O)/C=C/C(F)(F)F)cc1Nc1nccc(-c2c3ccccc3nn2C)n1.COc1cc(CCCN(C)C)c(NC(=O)/C=C/Cl)cc1Nc1nccc(-c2c3ccccc3nn2C)n1
• InChI: InChI=1S/C30H33F3N6O2.C29H33ClN6O2.C29H33FN6O2.C28H30F3N7O2.C27H30ClN7O2/c1-19-28(21-10-6-7-11-25(21)39(19)4)22-13-15-34-29(36-22)37-24-18-23(35-27(40)12-14-30(31,32)33)20(17-26(24)41-5)9-8-16-38(2)3;2*1-18(30)28(37)32-23-17-24(26(38-6)16-20(23)10-9-15-35(3)4)34-29-31-14-13-22(33-29)27-19(2)36(5)25-12-8-7-11-21(25)27;1-37(2)15-7-8-18-16-24(40-4)23(17-22(18)33-25(39)11-13-28(29,30)31)35-27-32-14-12-21(34-27)26-19-9-5-6-10-20(19)36-38(26)3;1-34(2)15-7-8-18-16-24(37-4)23(17-22(18)30-25(36)11-13-28)32-27-29-14-12-21(31-27)26-19-9-5-6-10-20(19)33-35(26)3/h6-7,10-15,17-18H,8-9,16H2,1-5H3,(H,35,40)(H,34,36,37);2*7-8,11-14,16-17H,1,9-10,15H2,2-6H3,(H,32,37)(H,31,33,34);5-6,9-14,16-17H,7-8,15H2,1-4H3,(H,33,39)(H,32,34,35);5-6,9-14,16-17H,7-8,15H2,1-4H3,(H,30,36)(H,29,31,32)/b14-12+;;;2*13-11+
• InChIKey: LUMUWAFGHNNYEV-CJNUEOKQSA-N
• XLogP: 28.04
• TPSA: 447.33 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 50
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2689.95
LogP ≤ 5	28.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

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-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-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-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide (CID 159460276) is 2-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-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-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-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-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-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(-c3c(C)n(C)c4ccccc34)n2)c(OC)cc1CCCN(C)C.C=C(F)C(=O)Nc1cc(Nc2nccc(-c3c(C)n(C)c4ccccc34)n2)c(OC)cc1CCCN(C)C.COc1cc(CCCN(C)C)c(NC(=O)/C=C/C(F)(F)F)cc1Nc1nccc(-c2c(C)n(C)c3ccccc23)n1.COc1cc(CCCN(C)C)c(NC(=O)/C=C/C(F)(F)F)cc1Nc1nccc(-c2c3ccccc3nn2C)n1.COc1cc(CCCN(C)C)c(NC(=O)/C=C/Cl)cc1Nc1nccc(-c2c3ccccc3nn2C)n1.

What is the InChIKey of 2-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide?

The InChIKey is LUMUWAFGHNNYEV-CJNUEOKQSA-N. The full InChI is InChI=1S/C30H33F3N6O2.C29H33ClN6O2.C29H33FN6O2.C28H30F3N7O2.C27H30ClN7O2/c1-19-28(21-10-6-7-11-25(21)39(19)4)22-13-15-34-29(36-22)37-24-18-23(35-27(40)12-14-30(31,32)33)20(17-26(24)41-5)9-8-16-38(2)3;2*1-18(30)28(37)32-23-17-24(26(38-6)16-20(23)10-9-15-35(3)4)34-29-31-14-13-22(33-29)27-19(2)36(5)25-12-8-7-11-21(25)27;1-37(2)15-7-8-18-16-24(40-4)23(17-22(18)33-25(39)11-13-28(29,30)31)35-27-32-14-12-21(34-27)26-19-9-5-6-10-20(19)36-38(26)3;1-34(2)15-7-8-18-16-24(37-4)23(17-22(18)30-25(36)11-13-28)32-27-29-14-12-21(31-27)26-19-9-5-6-10-20(19)33-35(26)3/h6-7,10-15,17-18H,8-9,16H2,1-5H3,(H,35,40)(H,34,36,37);2*7-8,11-14,16-17H,1,9-10,15H2,2-6H3,(H,32,37)(H,31,33,34);5-6,9-14,16-17H,7-8,15H2,1-4H3,(H,33,39)(H,32,34,35);5-6,9-14,16-17H,7-8,15H2,1-4H3,(H,30,36)(H,29,31,32)/b14-12+;;;2*13-11+.

What are the key properties of 2-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide?

2-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide has a molecular weight of 2689.95 g/mol, XLogP of 28.04, 50 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide is sourced from PubChem (CID 159460276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159460276 — identifiers, structure, computed properties (public domain)

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