cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol

C52H48F6N10O6 — CID 159340542

IUPACcyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21.Cn1cc(C(O)(c2ccc3c(cnn3C(=O)OC3CCC3)c2)C(F)(F)F)c2ccccc21.O=C(n1ccnc1)n1ccnc1.OC1CCC1
InChIInChI=1S/C23H20F3N3O3.C18H14F3N3O.C7H6N4O.C4H8O/c1-28-13-18(17-7-2-3-8-20(17)28)22(31,23(24,25)26)15-9-10-19-14(11-15)12-27-29(19)21(30)32-16-5-4-6-16;1-24-10-14(13-4-2-3-5-16(13)24)17(25,18(19,20)21)12-6-7-15-11(8-12)9-22-23-15;12-7(10-3-1-8-5-10)11-4-2-9-6-11;5-4-2-1-3-4/h2-3,7-13,16,31H,4-6H2,1H3;2-10,25H,1H3,(H,22,23);1-6H;4-5H,1-3H2
InChIKeyLGBWELQBHUUNRU-UHFFFAOYSA-N
MW1023.01 g/mol
LogP9.84
Rot. Bonds5

About cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol

cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol (PubChem CID 159340542) has the molecular formula C52H48F6N10O6 and a molecular weight of 1023.01 g/mol. Its IUPAC name is cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol.

Molecular Properties

Compound Namecyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol
PubChem CID159340542
Molecular FormulaC52H48F6N10O6
Molecular Weight1023.01 g/mol
Exact Mass1022.37
IUPAC Namecyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21.Cn1cc(C(O)(c2ccc3c(cnn3C(=O)OC3CCC3)c2)C(F)(F)F)c2ccccc21.O=C(n1ccnc1)n1ccnc1.OC1CCC1
InChIInChI=1S/C23H20F3N3O3.C18H14F3N3O.C7H6N4O.C4H8O/c1-28-13-18(17-7-2-3-8-20(17)28)22(31,23(24,25)26)15-9-10-19-14(11-15)12-27-29(19)21(30)32-16-5-4-6-16;1-24-10-14(13-4-2-3-5-16(13)24)17(25,18(19,20)21)12-6-7-15-11(8-12)9-22-23-15;12-7(10-3-1-8-5-10)11-4-2-9-6-11;5-4-2-1-3-4/h2-3,7-13,16,31H,4-6H2,1H3;2-10,25H,1H3,(H,22,23);1-6H;4-5H,1-3H2
InChIKeyLGBWELQBHUUNRU-UHFFFAOYSA-N
XLogP9.84
TPSA196.06 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001023.01
LogP ≤ 59.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol with MolForge

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Related Compounds

imidazol-1-yl-{5-[2,2,2-trifluoro-1-hydroxy-1-(1-methyl-1H-indol-3-yl)ethyl]indazol-1-yl}-methanone
CID 68474641
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
cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol
CID 158057068
propan-2-yl carbonochloridate;propan-2-yl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol
CID 159169060
di(imidazol-1-yl)methanone;ethanamine;N-ethyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazole-1-carboxamide;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol
CID 161886963

Frequently Asked Questions

What is the IUPAC name of cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol?
The IUPAC name of cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol (CID 159340542) is cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol.
What is the SMILES notation for cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol?
The canonical SMILES for cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol is Cn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21.Cn1cc(C(O)(c2ccc3c(cnn3C(=O)OC3CCC3)c2)C(F)(F)F)c2ccccc21.O=C(n1ccnc1)n1ccnc1.OC1CCC1.
What is the InChIKey of cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol?
The InChIKey is LGBWELQBHUUNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3.C18H14F3N3O.C7H6N4O.C4H8O/c1-28-13-18(17-7-2-3-8-20(17)28)22(31,23(24,25)26)15-9-10-19-14(11-15)12-27-29(19)21(30)32-16-5-4-6-16;1-24-10-14(13-4-2-3-5-16(13)24)17(25,18(19,20)21)12-6-7-15-11(8-12)9-22-23-15;12-7(10-3-1-8-5-10)11-4-2-9-6-11;5-4-2-1-3-4/h2-3,7-13,16,31H,4-6H2,1H3;2-10,25H,1H3,(H,22,23);1-6H;4-5H,1-3H2.
What are the key properties of cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol?
cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol has a molecular weight of 1023.01 g/mol, XLogP of 9.84, 5 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol is sourced from PubChem (CID 159340542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).