4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate

C159H225Br3F18N34O19Si3 — CID 162239275

About 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate

4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate (PubChem CID 162239275) has the molecular formula C159H225Br3F18N34O19Si3 and a molecular weight of 3582.70 g/mol. Its IUPAC name is 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate.

Molecular Properties

• Compound Name: 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate
• PubChem CID: 162239275
• Molecular Formula: C159H225Br3F18N34O19Si3
• Molecular Weight: 3582.70 g/mol
• Exact Mass: 3577.43
• IUPAC Name: 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate
• SMILES: C=CC(=O)N(CC)CC.C=CC(=O)OC(=O)C=C.CCCCC.CCN(CC)C(=O)OC(C)(C)C.CCN(CC)C(=O)OC(C)(C)C.C[Si](C)(C)CCOCn1ncc2c(Br)c(C(F)(F)F)ccc21.C[Si](C)(C)CCOCn1ncc2c(Br)c(C(F)(F)F)ccc21.C[Si](C)(C)CCOCn1ncc2c(N3CCc4c(N)nc(OCCCN5CCOCC5)nc4C3)c(C(F)(F)F)ccc21.FC(F)(F)c1ccc2[nH]ncc2c1Br.Nc1cc(OCCCN2CCOCC2)nc2c1CCN(c1c(C(F)(F)F)ccc3[nH]ncc13)C2.Nc1nc(OCCCN2CCOCC2)nc2c1CCN(c1c(C(F)(F)F)ccc3[nH]ncc13)C2.Nc1nc(OCCCN2CCOCC2)nc2c1CCNC2
• InChI: InChI=1S/C28H40F3N7O3Si.C23H27F3N6O2.C22H26F3N7O2.2C14H18BrF3N2OSi.C14H23N5O2.2C9H19NO2.C8H4BrF3N2.C7H13NO.C6H6O3.C5H12/c1-42(2,3)16-15-40-19-38-24-6-5-22(28(29,30)31)25(21(24)17-33-38)37-9-7-20-23(18-37)34-27(35-26(20)32)41-12-4-8-36-10-13-39-14-11-36;24-23(25,26)17-2-3-19-16(13-28-30-19)22(17)32-6-4-15-18(27)12-21(29-20(15)14-32)34-9-1-5-31-7-10-33-11-8-31;23-22(24,25)16-2-3-17-15(12-27-30-17)19(16)32-6-4-14-18(13-32)28-21(29-20(14)26)34-9-1-5-31-7-10-33-11-8-31;2*1-22(2,3)7-6-21-9-20-12-5-4-11(14(16,17)18)13(15)10(12)8-19-20;15-13-11-2-3-16-10-12(11)17-14(18-13)21-7-1-4-19-5-8-20-9-6-19;2*1-6-10(7-2)8(11)12-9(3,4)5;9-7-4-3-13-14-6(4)2-1-5(7)8(10,11)12;1-4-7(9)8(5-2)6-3;1-3-5(7)9-6(8)4-2;1-3-5-4-2/h5-6,17H,4,7-16,18-19H2,1-3H3,(H2,32,34,35);2-3,12-13H,1,4-11,14H2,(H2,27,29)(H,28,30);2-3,12H,1,4-11,13H2,(H,27,30)(H2,26,28,29);2*4-5,8H,6-7,9H2,1-3H3;16H,1-10H2,(H2,15,17,18);2*6-7H2,1-5H3;1-3H,(H,13,14);4H,1,5-6H2,2-3H3;3-4H,1-2H2;3-5H2,1-2H3
• InChIKey: ZWMFIROBMJNPIY-UHFFFAOYSA-N
• XLogP: 31.85
• TPSA: 592.81 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 47
• Rotatable Bonds: 49
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3582.70
LogP ≤ 5	31.85
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate?

The IUPAC name of 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate (CID 162239275) is 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate.

What is the SMILES notation for 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate?

The canonical SMILES for 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate is C=CC(=O)N(CC)CC.C=CC(=O)OC(=O)C=C.CCCCC.CCN(CC)C(=O)OC(C)(C)C.CCN(CC)C(=O)OC(C)(C)C.C[Si](C)(C)CCOCn1ncc2c(Br)c(C(F)(F)F)ccc21.C[Si](C)(C)CCOCn1ncc2c(Br)c(C(F)(F)F)ccc21.C[Si](C)(C)CCOCn1ncc2c(N3CCc4c(N)nc(OCCCN5CCOCC5)nc4C3)c(C(F)(F)F)ccc21.FC(F)(F)c1ccc2[nH]ncc2c1Br.Nc1cc(OCCCN2CCOCC2)nc2c1CCN(c1c(C(F)(F)F)ccc3[nH]ncc13)C2.Nc1nc(OCCCN2CCOCC2)nc2c1CCN(c1c(C(F)(F)F)ccc3[nH]ncc13)C2.Nc1nc(OCCCN2CCOCC2)nc2c1CCNC2.

What is the InChIKey of 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate?

The InChIKey is ZWMFIROBMJNPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40F3N7O3Si.C23H27F3N6O2.C22H26F3N7O2.2C14H18BrF3N2OSi.C14H23N5O2.2C9H19NO2.C8H4BrF3N2.C7H13NO.C6H6O3.C5H12/c1-42(2,3)16-15-40-19-38-24-6-5-22(28(29,30)31)25(21(24)17-33-38)37-9-7-20-23(18-37)34-27(35-26(20)32)41-12-4-8-36-10-13-39-14-11-36;24-23(25,26)17-2-3-19-16(13-28-30-19)22(17)32-6-4-15-18(27)12-21(29-20(15)14-32)34-9-1-5-31-7-10-33-11-8-31;23-22(24,25)16-2-3-17-15(12-27-30-17)19(16)32-6-4-14-18(13-32)28-21(29-20(14)26)34-9-1-5-31-7-10-33-11-8-31;2*1-22(2,3)7-6-21-9-20-12-5-4-11(14(16,17)18)13(15)10(12)8-19-20;15-13-11-2-3-16-10-12(11)17-14(18-13)21-7-1-4-19-5-8-20-9-6-19;2*1-6-10(7-2)8(11)12-9(3,4)5;9-7-4-3-13-14-6(4)2-1-5(7)8(10,11)12;1-4-7(9)8(5-2)6-3;1-3-5(7)9-6(8)4-2;1-3-5-4-2/h5-6,17H,4,7-16,18-19H2,1-3H3,(H2,32,34,35);2-3,12-13H,1,4-11,14H2,(H2,27,29)(H,28,30);2-3,12H,1,4-11,13H2,(H,27,30)(H2,26,28,29);2*4-5,8H,6-7,9H2,1-3H3;16H,1-10H2,(H2,15,17,18);2*6-7H2,1-5H3;1-3H,(H,13,14);4H,1,5-6H2,2-3H3;3-4H,1-2H2;3-5H2,1-2H3.

What are the key properties of 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate?

4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate has a molecular weight of 3582.70 g/mol, XLogP of 31.85, 49 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);bis(tert-butyl N,N-diethylcarbamate);N,N-diethylprop-2-enamide;2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pentane;prop-2-enoyl prop-2-enoate is sourced from PubChem (CID 162239275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).