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

C23H20F3N3O3 — CID 59437326

IUPACcyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate
SMILESCn1cc(C(O)(c2ccc3c(cnn3C(=O)OCC3CC3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H20F3N3O3/c1-28-12-18(17-4-2-3-5-20(17)28)22(31,23(24,25)26)16-8-9-19-15(10-16)11-27-29(19)21(30)32-13-14-6-7-14/h2-5,8-12,14,31H,6-7,13H2,1H3
InChIKeyGVNWDHIJCHEARU-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.72
Rot. Bonds4

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

cyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate (PubChem CID 59437326) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is cyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate
PubChem CID59437326
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Namecyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate
SMILESCn1cc(C(O)(c2ccc3c(cnn3C(=O)OCC3CC3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H20F3N3O3/c1-28-12-18(17-4-2-3-5-20(17)28)22(31,23(24,25)26)16-8-9-19-15(10-16)11-27-29(19)21(30)32-13-14-6-7-14/h2-5,8-12,14,31H,6-7,13H2,1H3
InChIKeyGVNWDHIJCHEARU-UHFFFAOYSA-N
XLogP4.72
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate?
The IUPAC name of cyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate (CID 59437326) is cyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate.
What is the SMILES notation for cyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate?
The canonical SMILES for cyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate is Cn1cc(C(O)(c2ccc3c(cnn3C(=O)OCC3CC3)c2)C(F)(F)F)c2ccccc21.
What is the InChIKey of cyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate?
The InChIKey is GVNWDHIJCHEARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-28-12-18(17-4-2-3-5-20(17)28)22(31,23(24,25)26)16-8-9-19-15(10-16)11-27-29(19)21(30)32-13-14-6-7-14/h2-5,8-12,14,31H,6-7,13H2,1H3.
What are the key properties of cyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate?
cyclopropylmethyl 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 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate is sourced from PubChem (CID 59437326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).