cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate

C23H20F3N3O3 — CID 59437251

IUPACcyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate
SMILESCn1cc(C(O)(c2ccc3c(cnn3C(=O)OC3CCC3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H20F3N3O3/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/h2-3,7-13,16,31H,4-6H2,1H3
InChIKeyGNPAJIXBRASUGX-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.86
Rot. Bonds3

About cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate

cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate (PubChem CID 59437251) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate.

Molecular Properties

Compound Namecyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate
PubChem CID59437251
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Namecyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate
SMILESCn1cc(C(O)(c2ccc3c(cnn3C(=O)OC3CCC3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H20F3N3O3/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/h2-3,7-13,16,31H,4-6H2,1H3
InChIKeyGNPAJIXBRASUGX-UHFFFAOYSA-N
XLogP4.86
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate?
The IUPAC name of cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate (CID 59437251) is cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate.
What is the SMILES notation for cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate?
The canonical SMILES for cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate is Cn1cc(C(O)(c2ccc3c(cnn3C(=O)OC3CCC3)c2)C(F)(F)F)c2ccccc21.
What is the InChIKey of cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate?
The InChIKey is GNPAJIXBRASUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/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/h2-3,7-13,16,31H,4-6H2,1H3.
What are the key properties of cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate?
cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate has a molecular weight of 443.43 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate is sourced from PubChem (CID 59437251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).