N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide

C118H131N31O8 — CID 157428520

About N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide

N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide (PubChem CID 157428520) has the molecular formula C118H131N31O8 and a molecular weight of 2114.57 g/mol. Its IUPAC name is N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide
• PubChem CID: 157428520
• Molecular Formula: C118H131N31O8
• Molecular Weight: 2114.57 g/mol
• Exact Mass: 2113.10
• IUPAC Name: N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2nccc(-c3cc(C#N)c4c(c3)c(C)cn4C)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(C#N)c4c(c3)c(C)cn4C)n2)c(OC)cc1NCCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(C#N)c4c(c3)c(C)cn4C)n2)c(OC)cc1NCCNC.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Cc2nccc(-c3cc(C#N)c4c(c3)c(C)cn4C)n2)cc1NC(=O)C=C
• InChI: InChI=1S/C31H35N7O2.C30H34N8O2.C29H32N8O2.C28H30N8O2/c1-8-30(39)35-26-15-22(28(40-7)17-27(26)37(5)12-11-36(3)4)16-29-33-10-9-25(34-29)21-13-23(18-32)31-24(14-21)20(2)19-38(31)6;1-8-28(39)33-24-15-25(27(40-7)16-26(24)37(5)12-11-36(3)4)35-30-32-10-9-23(34-30)20-13-21(17-31)29-22(14-20)19(2)18-38(29)6;1-7-27(38)33-24-14-25(26(39-6)15-23(24)31-10-11-36(3)4)35-29-32-9-8-22(34-29)19-12-20(16-30)28-21(13-19)18(2)17-37(28)5;1-6-26(37)33-23-13-24(25(38-5)14-22(23)31-10-9-30-3)35-28-32-8-7-21(34-28)18-11-19(15-29)27-20(12-18)17(2)16-36(27)4/h8-10,13-15,17,19H,1,11-12,16H2,2-7H3,(H,35,39);8-10,13-16,18H,1,11-12H2,2-7H3,(H,33,39)(H,32,34,35);7-9,12-15,17,31H,1,10-11H2,2-6H3,(H,33,38)(H,32,34,35);6-8,11-14,16,30-31H,1,9-10H2,2-5H3,(H,33,37)(H,32,34,35)/i3D3
• InChIKey: BQGCMZNAXCPPCE-DXHMZEATSA-N
• XLogP: 18.22
• TPSA: 459.70 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 41
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2114.57
LogP ≤ 5	18.22
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide?

The IUPAC name of N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide (CID 157428520) is N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-c3cc(C#N)c4c(c3)c(C)cn4C)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(C#N)c4c(c3)c(C)cn4C)n2)c(OC)cc1NCCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(C#N)c4c(c3)c(C)cn4C)n2)c(OC)cc1NCCNC.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Cc2nccc(-c3cc(C#N)c4c(c3)c(C)cn4C)n2)cc1NC(=O)C=C.

What is the InChIKey of N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide?

The InChIKey is BQGCMZNAXCPPCE-DXHMZEATSA-N. The full InChI is InChI=1S/C31H35N7O2.C30H34N8O2.C29H32N8O2.C28H30N8O2/c1-8-30(39)35-26-15-22(28(40-7)17-27(26)37(5)12-11-36(3)4)16-29-33-10-9-25(34-29)21-13-23(18-32)31-24(14-21)20(2)19-38(31)6;1-8-28(39)33-24-15-25(27(40-7)16-26(24)37(5)12-11-36(3)4)35-30-32-10-9-23(34-30)20-13-21(17-31)29-22(14-20)19(2)18-38(29)6;1-7-27(38)33-24-14-25(26(39-6)15-23(24)31-10-11-36(3)4)35-29-32-9-8-22(34-29)19-12-20(16-30)28-21(13-19)18(2)17-37(28)5;1-6-26(37)33-23-13-24(25(38-5)14-22(23)31-10-9-30-3)35-28-32-8-7-21(34-28)18-11-19(15-29)27-20(12-18)17(2)16-36(27)4/h8-10,13-15,17,19H,1,11-12,16H2,2-7H3,(H,35,39);8-10,13-16,18H,1,11-12H2,2-7H3,(H,33,39)(H,32,34,35);7-9,12-15,17,31H,1,10-11H2,2-6H3,(H,33,38)(H,32,34,35);6-8,11-14,16,30-31H,1,9-10H2,2-5H3,(H,33,37)(H,32,34,35)/i3D3;;;.

What are the key properties of N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide?

N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide has a molecular weight of 2114.57 g/mol, XLogP of 18.22, 41 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[2-(methylamino)ethylamino]phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1,3-dimethylindol-5-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 157428520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).