3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol

C23H26FN5O — CID 166779795

IUPAC3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol
SMILESCc1cc(-n2c(C(C)C)c(C3CC(C4=NNNN4)C3)c3cc(O)ccc32)ccc1F
InChIInChI=1S/C23H26FN5O/c1-12(2)22-21(14-9-15(10-14)23-25-27-28-26-23)18-11-17(30)5-7-20(18)29(22)16-4-6-19(24)13(3)8-16/h4-8,11-12,14-15,27-28,30H,9-10H2,1-3H3,(H,25,26)
InChIKeyQBLKJYCHZNJJML-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.33
Rot. Bonds4

About 3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol

3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol (PubChem CID 166779795) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol
PubChem CID166779795
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol
SMILESCc1cc(-n2c(C(C)C)c(C3CC(C4=NNNN4)C3)c3cc(O)ccc32)ccc1F
InChIInChI=1S/C23H26FN5O/c1-12(2)22-21(14-9-15(10-14)23-25-27-28-26-23)18-11-17(30)5-7-20(18)29(22)16-4-6-19(24)13(3)8-16/h4-8,11-12,14-15,27-28,30H,9-10H2,1-3H3,(H,25,26)
InChIKeyQBLKJYCHZNJJML-UHFFFAOYSA-N
XLogP4.33
TPSA73.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol?
The IUPAC name of 3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol (CID 166779795) is 3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol.
What is the SMILES notation for 3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol?
The canonical SMILES for 3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol is Cc1cc(-n2c(C(C)C)c(C3CC(C4=NNNN4)C3)c3cc(O)ccc32)ccc1F.
What is the InChIKey of 3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol?
The InChIKey is QBLKJYCHZNJJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-12(2)22-21(14-9-15(10-14)23-25-27-28-26-23)18-11-17(30)5-7-20(18)29(22)16-4-6-19(24)13(3)8-16/h4-8,11-12,14-15,27-28,30H,9-10H2,1-3H3,(H,25,26).
What are the key properties of 3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol?
3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol has a molecular weight of 407.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol is sourced from PubChem (CID 166779795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).