N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

C119H138ClF4N29O8 — CID 157093115

About N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide (PubChem CID 157093115) has the molecular formula C119H138ClF4N29O8 and a molecular weight of 2214.05 g/mol. Its IUPAC name is N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
• PubChem CID: 157093115
• Molecular Formula: C119H138ClF4N29O8
• Molecular Weight: 2214.05 g/mol
• Exact Mass: 2212.09
• IUPAC Name: N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2nccc(-c3cc(C#N)c4c(c3)c(C)cn4CC)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(C(F)(F)F)c4c(c3)c(C)cn4C)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(Cl)c4c(c3)c(C)cn4C)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4c(c3)c(C)cn4C)n2)c(OC)cc1N(C)CCN(C)C
• InChI: InChI=1S/C31H36N8O2.C30H34F3N7O2.C29H34ClN7O2.C29H34FN7O2/c1-8-29(40)34-25-16-26(28(41-7)17-27(25)38(6)13-12-37(4)5)36-31-33-11-10-24(35-31)21-14-22(18-32)30-23(15-21)20(3)19-39(30)9-2;1-8-27(41)35-23-15-24(26(42-7)16-25(23)39(5)12-11-38(3)4)37-29-34-10-9-22(36-29)19-13-20-18(2)17-40(6)28(20)21(14-19)30(31,32)33;2*1-8-27(38)32-23-15-24(26(39-7)16-25(23)36(5)12-11-35(3)4)34-29-31-10-9-22(33-29)19-13-20-18(2)17-37(6)28(20)21(30)14-19/h8,10-11,14-17,19H,1,9,12-13H2,2-7H3,(H,34,40)(H,33,35,36);8-10,13-17H,1,11-12H2,2-7H3,(H,35,41)(H,34,36,37);2*8-10,13-17H,1,11-12H2,2-7H3,(H,32,38)(H,31,33,34)
• InChIKey: AEWZRIVKBUQION-UHFFFAOYSA-N
• XLogP: 21.44
• TPSA: 373.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 41
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2214.05
LogP ≤ 5	21.44
H-Bond Donors ≤ 5	8
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-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide?

The IUPAC name of N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide (CID 157093115) is N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide.

What is the SMILES notation for N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide?

The canonical SMILES for N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-c3cc(C#N)c4c(c3)c(C)cn4CC)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(C(F)(F)F)c4c(c3)c(C)cn4C)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(Cl)c4c(c3)c(C)cn4C)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4c(c3)c(C)cn4C)n2)c(OC)cc1N(C)CCN(C)C.

What is the InChIKey of N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide?

The InChIKey is AEWZRIVKBUQION-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N8O2.C30H34F3N7O2.C29H34ClN7O2.C29H34FN7O2/c1-8-29(40)34-25-16-26(28(41-7)17-27(25)38(6)13-12-37(4)5)36-31-33-11-10-24(35-31)21-14-22(18-32)30-23(15-21)20(3)19-39(30)9-2;1-8-27(41)35-23-15-24(26(42-7)16-25(23)39(5)12-11-38(3)4)37-29-34-10-9-22(36-29)19-13-20-18(2)17-40(6)28(20)21(14-19)30(31,32)33;2*1-8-27(38)32-23-15-24(26(39-7)16-25(23)36(5)12-11-35(3)4)34-29-31-10-9-22(33-29)19-13-20-18(2)17-37(6)28(20)21(30)14-19/h8,10-11,14-17,19H,1,9,12-13H2,2-7H3,(H,34,40)(H,33,35,36);8-10,13-17H,1,11-12H2,2-7H3,(H,35,41)(H,34,36,37);2*8-10,13-17H,1,11-12H2,2-7H3,(H,32,38)(H,31,33,34).

What are the key properties of N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide?

N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide has a molecular weight of 2214.05 g/mol, XLogP of 21.44, 41 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 157093115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).