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

C139H153Cl2F4N31O15 — CID 159147796

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

2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 159147796) has the molecular formula C139H153Cl2F4N31O15 and a molecular weight of 2644.85 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
• PubChem CID: 159147796
• Molecular Formula: C139H153Cl2F4N31O15
• Molecular Weight: 2644.85 g/mol
• Exact Mass: 2642.15
• IUPAC Name: 2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
• SMILES: C=C(Cl)C(=O)Nc1cc(Nc2nccc(-c3c(C)n(C)c4ccccc34)n2)c(OC)cc1OCCN(C)C.C=C(F)C(=O)Nc1cc(Nc2nccc(-c3c(C)n(C)c4ccccc34)n2)c(OC)cc1OCCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3nn(C)c4ccccc34)n2)c(OC)cc1OCCN(C)C.COc1cc(OCCN(C)C)c(NC(=O)/C=C/C(F)(F)F)cc1Nc1nccc(-c2c(C)n(C)c3ccccc23)n1.COc1cc(OCCN(C)C)c(NC(=O)/C=C/Cl)cc1Nc1nccc(-c2c(C)n(C)c3ccccc23)n1
• InChI: InChI=1S/C29H31F3N6O3.2C28H31ClN6O3.C28H31FN6O3.C26H29N7O3/c1-18-27(19-8-6-7-9-23(19)38(18)4)20-11-13-33-28(35-20)36-21-16-22(34-26(39)10-12-29(30,31)32)25(17-24(21)40-5)41-15-14-37(2)3;1-17(29)27(36)31-22-15-21(24(37-6)16-25(22)38-14-13-34(3)4)33-28-30-12-11-20(32-28)26-18(2)35(5)23-10-8-7-9-19(23)26;1-18-27(19-8-6-7-9-23(19)35(18)4)20-11-13-30-28(32-20)33-21-16-22(31-26(36)10-12-29)25(17-24(21)37-5)38-15-14-34(2)3;1-17(29)27(36)31-22-15-21(24(37-6)16-25(22)38-14-13-34(3)4)33-28-30-12-11-20(32-28)26-18(2)35(5)23-10-8-7-9-19(23)26;1-6-24(34)28-20-15-19(22(35-5)16-23(20)36-14-13-32(2)3)30-26-27-12-11-18(29-26)25-17-9-7-8-10-21(17)33(4)31-25/h6-13,16-17H,14-15H2,1-5H3,(H,34,39)(H,33,35,36);7-12,15-16H,1,13-14H2,2-6H3,(H,31,36)(H,30,32,33);6-13,16-17H,14-15H2,1-5H3,(H,31,36)(H,30,32,33);7-12,15-16H,1,13-14H2,2-6H3,(H,31,36)(H,30,32,33);6-12,15-16H,1,13-14H2,2-5H3,(H,28,34)(H,27,29,30)/b12-10+;;12-10+
• InChIKey: KIXDZOHZCCGUEX-VKIIJBMTSA-N
• XLogP: 25.25
• TPSA: 480.59 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 50
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2644.85
LogP ≤ 5	25.25
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-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?

The IUPAC name of 2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide (CID 159147796) is 2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide.

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

The canonical SMILES for 2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide is C=C(Cl)C(=O)Nc1cc(Nc2nccc(-c3c(C)n(C)c4ccccc34)n2)c(OC)cc1OCCN(C)C.C=C(F)C(=O)Nc1cc(Nc2nccc(-c3c(C)n(C)c4ccccc34)n2)c(OC)cc1OCCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3nn(C)c4ccccc34)n2)c(OC)cc1OCCN(C)C.COc1cc(OCCN(C)C)c(NC(=O)/C=C/C(F)(F)F)cc1Nc1nccc(-c2c(C)n(C)c3ccccc23)n1.COc1cc(OCCN(C)C)c(NC(=O)/C=C/Cl)cc1Nc1nccc(-c2c(C)n(C)c3ccccc23)n1.

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

The InChIKey is KIXDZOHZCCGUEX-VKIIJBMTSA-N. The full InChI is InChI=1S/C29H31F3N6O3.2C28H31ClN6O3.C28H31FN6O3.C26H29N7O3/c1-18-27(19-8-6-7-9-23(19)38(18)4)20-11-13-33-28(35-20)36-21-16-22(34-26(39)10-12-29(30,31)32)25(17-24(21)40-5)41-15-14-37(2)3;1-17(29)27(36)31-22-15-21(24(37-6)16-25(22)38-14-13-34(3)4)33-28-30-12-11-20(32-28)26-18(2)35(5)23-10-8-7-9-19(23)26;1-18-27(19-8-6-7-9-23(19)35(18)4)20-11-13-30-28(32-20)33-21-16-22(31-26(36)10-12-29)25(17-24(21)37-5)38-15-14-34(2)3;1-17(29)27(36)31-22-15-21(24(37-6)16-25(22)38-14-13-34(3)4)33-28-30-12-11-20(32-28)26-18(2)35(5)23-10-8-7-9-19(23)26;1-6-24(34)28-20-15-19(22(35-5)16-23(20)36-14-13-32(2)3)30-26-27-12-11-18(29-26)25-17-9-7-8-10-21(17)33(4)31-25/h6-13,16-17H,14-15H2,1-5H3,(H,34,39)(H,33,35,36);7-12,15-16H,1,13-14H2,2-6H3,(H,31,36)(H,30,32,33);6-13,16-17H,14-15H2,1-5H3,(H,31,36)(H,30,32,33);7-12,15-16H,1,13-14H2,2-6H3,(H,31,36)(H,30,32,33);6-12,15-16H,1,13-14H2,2-5H3,(H,28,34)(H,27,29,30)/b12-10+;;12-10+;;.

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

2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2644.85 g/mol, XLogP of 25.25, 50 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 159147796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).