2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride

C89H128ClN27O10 — CID 157474913

About 2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride

2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride (PubChem CID 157474913) has the molecular formula C89H128ClN27O10 and a molecular weight of 1771.63 g/mol. Its IUPAC name is 2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride
• PubChem CID: 157474913
• Molecular Formula: C89H128ClN27O10
• Molecular Weight: 1771.63 g/mol
• Exact Mass: 1770.00
• IUPAC Name: 2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride
• SMILES: C.C.C.C.C.C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(Nc3ccc4[nH]ccc4c3C(C)(C)O)n2)c(OC)cc1N(C)CCN(C)C.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2ccc3[nH]ccc3c2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2ccc3[nH]ccc3c2C(C)(C)O)n1
• InChI: InChI=1S/C29H37N9O3.C26H33N9O4.C26H35N9O2.C3H3ClO.5CH4/c1-8-25(39)33-21-15-22(24(41-7)16-23(21)38(6)14-13-37(4)5)35-28-32-17-31-27(36-28)34-20-10-9-19-18(11-12-30-19)26(20)29(2,3)40;1-26(2,36)23-16-9-10-27-17(16)7-8-18(23)30-24-28-15-29-25(32-24)31-19-13-21(35(37)38)20(14-22(19)39-6)34(5)12-11-33(3)4;1-26(2,36)23-16-9-10-28-18(16)7-8-19(23)31-24-29-15-30-25(33-24)32-20-13-17(27)21(14-22(20)37-6)35(5)12-11-34(3)4;1-2-3(4)5;;;;;/h8-12,15-17,30,40H,1,13-14H2,2-7H3,(H,33,39)(H2,31,32,34,35,36);7-10,13-15,27,36H,11-12H2,1-6H3,(H2,28,29,30,31,32);7-10,13-15,28,36H,11-12,27H2,1-6H3,(H2,29,30,31,32,33);2H,1H2;5*1H4
• InChIKey: BVMAHMLWAMZQIE-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 458.71 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1771.63
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	32

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 2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride?

The IUPAC name of 2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride (CID 157474913) is 2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride.

What is the SMILES notation for 2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride?

The canonical SMILES for 2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride is C.C.C.C.C.C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(Nc3ccc4[nH]ccc4c3C(C)(C)O)n2)c(OC)cc1N(C)CCN(C)C.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2ccc3[nH]ccc3c2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2ccc3[nH]ccc3c2C(C)(C)O)n1.

What is the InChIKey of 2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride?

The InChIKey is BVMAHMLWAMZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N9O3.C26H33N9O4.C26H35N9O2.C3H3ClO.5CH4/c1-8-25(39)33-21-15-22(24(41-7)16-23(21)38(6)14-13-37(4)5)35-28-32-17-31-27(36-28)34-20-10-9-19-18(11-12-30-19)26(20)29(2,3)40;1-26(2,36)23-16-9-10-27-17(16)7-8-18(23)30-24-28-15-29-25(32-24)31-19-13-21(35(37)38)20(14-22(19)39-6)34(5)12-11-33(3)4;1-26(2,36)23-16-9-10-28-18(16)7-8-19(23)31-24-29-15-30-25(33-24)32-20-13-17(27)21(14-22(20)37-6)35(5)12-11-34(3)4;1-2-3(4)5;;;;;/h8-12,15-17,30,40H,1,13-14H2,2-7H3,(H,33,39)(H2,31,32,34,35,36);7-10,13-15,27,36H,11-12H2,1-6H3,(H2,28,29,30,31,32);7-10,13-15,28,36H,11-12,27H2,1-6H3,(H2,29,30,31,32,33);2H,1H2;5*1H4.

What are the key properties of 2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride?

2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride has a molecular weight of 1771.63 g/mol, XLogP of 15.95, 34 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[4-(2-hydroxypropan-2-yl)-1H-indol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-1H-indol-4-yl]propan-2-ol;methane;prop-2-enoyl chloride is sourced from PubChem (CID 157474913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).