N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride

C114H146ClFN24O10 — CID 157052917

About N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride

N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride (PubChem CID 157052917) has the molecular formula C114H146ClFN24O10 and a molecular weight of 2082.12 g/mol. Its IUPAC name is N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride
• PubChem CID: 157052917
• Molecular Formula: C114H146ClFN24O10
• Molecular Weight: 2082.12 g/mol
• Exact Mass: 2080.23
• IUPAC Name: N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.COc1cc(F)c([N+](=O)[O-])cc1Cc1nccc(N2CC(C)(C)c3ccccc32)n1.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Cc2nccc(N3CC(C)(C)c4ccccc43)n2)cc1N.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Cc2nccc(N3CC(C)(C)c4ccccc43)n2)cc1NC(=O)C=C.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Cc2nccc(N3CC(C)(C)c4ccccc43)n2)cc1[N+](=O)[O-].[2H]C([2H])([2H])N(CCNC)C([2H])([2H])[2H]
• InChI: InChI=1S/C30H38N6O2.C27H34N6O3.C27H36N6O.C22H21FN4O3.C5H14N2.C3H3ClO/c1-8-29(37)32-23-17-21(26(38-7)19-25(23)35(6)16-15-34(4)5)18-27-31-14-13-28(33-27)36-20-30(2,3)22-11-9-10-12-24(22)36;1-27(2)18-32(21-10-8-7-9-20(21)27)26-11-12-28-25(29-26)16-19-15-23(33(34)35)22(17-24(19)36-6)31(5)14-13-30(3)4;1-27(2)18-33(22-10-8-7-9-20(22)27)26-11-12-29-25(30-26)16-19-15-21(28)23(17-24(19)34-6)32(5)14-13-31(3)4;1-22(2)13-26(17-7-5-4-6-15(17)22)21-8-9-24-20(25-21)11-14-10-18(27(28)29)16(23)12-19(14)30-3;1-6-4-5-7(2)3;1-2-3(4)5/h8-14,17,19H,1,15-16,18,20H2,2-7H3,(H,32,37);7-12,15,17H,13-14,16,18H2,1-6H3;7-12,15,17H,13-14,16,18,28H2,1-6H3;4-10,12H,11,13H2,1-3H3;6H,4-5H2,1-3H3;2H,1H2/i4D3;2*3D3;;2D3,3D3
• InChIKey: AAKMPGFOGPVGLS-VIRVVWMSSA-N
• XLogP: 18.38
• TPSA: 346.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 41
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2082.12
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride?

The IUPAC name of N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride (CID 157052917) is N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride.

What is the SMILES notation for N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride?

The canonical SMILES for N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride is C=CC(=O)Cl.COc1cc(F)c([N+](=O)[O-])cc1Cc1nccc(N2CC(C)(C)c3ccccc32)n1.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Cc2nccc(N3CC(C)(C)c4ccccc43)n2)cc1N.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Cc2nccc(N3CC(C)(C)c4ccccc43)n2)cc1NC(=O)C=C.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Cc2nccc(N3CC(C)(C)c4ccccc43)n2)cc1[N+](=O)[O-].[2H]C([2H])([2H])N(CCNC)C([2H])([2H])[2H].

What is the InChIKey of N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride?

The InChIKey is AAKMPGFOGPVGLS-VIRVVWMSSA-N. The full InChI is InChI=1S/C30H38N6O2.C27H34N6O3.C27H36N6O.C22H21FN4O3.C5H14N2.C3H3ClO/c1-8-29(37)32-23-17-21(26(38-7)19-25(23)35(6)16-15-34(4)5)18-27-31-14-13-28(33-27)36-20-30(2,3)22-11-9-10-12-24(22)36;1-27(2)18-32(21-10-8-7-9-20(21)27)26-11-12-28-25(29-26)16-19-15-23(33(34)35)22(17-24(19)36-6)31(5)14-13-30(3)4;1-27(2)18-33(22-10-8-7-9-20(22)27)26-11-12-29-25(30-26)16-19-15-21(28)23(17-24(19)34-6)32(5)14-13-31(3)4;1-22(2)13-26(17-7-5-4-6-15(17)22)21-8-9-24-20(25-21)11-14-10-18(27(28)29)16(23)12-19(14)30-3;1-6-4-5-7(2)3;1-2-3(4)5/h8-14,17,19H,1,15-16,18,20H2,2-7H3,(H,32,37);7-12,15,17H,13-14,16,18H2,1-6H3;7-12,15,17H,13-14,16,18,28H2,1-6H3;4-10,12H,11,13H2,1-3H3;6H,4-5H2,1-3H3;2H,1H2/i4D3;2*3D3;;2D3,3D3;.

What are the key properties of N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride?

N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride has a molecular weight of 2082.12 g/mol, XLogP of 18.38, 41 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-1-N-methyl-1-N-[2-[methyl(trideuteriomethyl)amino]ethyl]benzene-1,2-diamine;N-[4-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]methyl]-5-methoxy-2-nitrophenyl]-N,N'-dimethyl-N'-(trideuteriomethyl)ethane-1,2-diamine;1-[2-[(4-fluoro-2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-yl]-3,3-dimethyl-2H-indole;N-methyl-N',N'-bis(trideuteriomethyl)ethane-1,2-diamine;prop-2-enoyl chloride is sourced from PubChem (CID 157052917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).