di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol

C53H51F6N11O4 — CID 157365179

About di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol

di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol (PubChem CID 157365179) has the molecular formula C53H51F6N11O4 and a molecular weight of 1020.05 g/mol. Its IUPAC name is di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol.

Molecular Properties

• Compound Name: di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol
• PubChem CID: 157365179
• Molecular Formula: C53H51F6N11O4
• Molecular Weight: 1020.05 g/mol
• Exact Mass: 1019.40
• IUPAC Name: di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol
• SMILES: C=CCn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21.C=CCn1cc(C(O)(c2ccc3c(cnn3C(=O)CCC)c2)C(F)(F)F)c2ccccc21.CCN.O=C(n1ccnc1)n1ccnc1
• InChI: InChI=1S/C24H22F3N3O2.C20H16F3N3O.C7H6N4O.C2H7N/c1-3-7-22(31)30-20-11-10-17(13-16(20)14-28-30)23(32,24(25,26)27)19-15-29(12-4-2)21-9-6-5-8-18(19)21;1-2-9-26-12-16(15-5-3-4-6-18(15)26)19(27,20(21,22)23)14-7-8-17-13(10-14)11-24-25-17;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-2-3/h4-6,8-11,13-15,32H,2-3,7,12H2,1H3;2-8,10-12,27H,1,9H2,(H,24,25);1-6H;2-3H2,1H3
• InChIKey: BJCCZGYFUQVBLF-UHFFFAOYSA-N
• XLogP: 10.48
• TPSA: 192.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1020.05
LogP ≤ 5	10.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol?

The IUPAC name of di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol (CID 157365179) is di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol.

What is the SMILES notation for di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol?

The canonical SMILES for di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol is C=CCn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21.C=CCn1cc(C(O)(c2ccc3c(cnn3C(=O)CCC)c2)C(F)(F)F)c2ccccc21.CCN.O=C(n1ccnc1)n1ccnc1.

What is the InChIKey of di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol?

The InChIKey is BJCCZGYFUQVBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2.C20H16F3N3O.C7H6N4O.C2H7N/c1-3-7-22(31)30-20-11-10-17(13-16(20)14-28-30)23(32,24(25,26)27)19-15-29(12-4-2)21-9-6-5-8-18(19)21;1-2-9-26-12-16(15-5-3-4-6-18(15)26)19(27,20(21,22)23)14-7-8-17-13(10-14)11-24-25-17;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-2-3/h4-6,8-11,13-15,32H,2-3,7,12H2,1H3;2-8,10-12,27H,1,9H2,(H,24,25);1-6H;2-3H2,1H3.

What are the key properties of di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol?

di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol has a molecular weight of 1020.05 g/mol, XLogP of 10.48, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol is sourced from PubChem (CID 157365179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).