3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol

C18H18F3N5O2 — CID 118443718

IUPAC3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol
SMILESCC(C)C(O)(Cn1cnnn1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C18H18F3N5O2/c1-12(2)17(27,10-26-11-23-24-25-26)16-8-5-14(9-22-16)13-3-6-15(7-4-13)28-18(19,20)21/h3-9,11-12,27H,10H2,1-2H3
InChIKeyXJMVJEWVPCDYIG-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.18
Rot. Bonds6

About 3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol

3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol (PubChem CID 118443718) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is 3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol
PubChem CID118443718
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC Name3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol
SMILESCC(C)C(O)(Cn1cnnn1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C18H18F3N5O2/c1-12(2)17(27,10-26-11-23-24-25-26)16-8-5-14(9-22-16)13-3-6-15(7-4-13)28-18(19,20)21/h3-9,11-12,27H,10H2,1-2H3
InChIKeyXJMVJEWVPCDYIG-UHFFFAOYSA-N
XLogP3.18
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-2-(2-ethyl-4-fluorophenyl)-1,1-difluoro-2-methoxy-3-(tetrazol-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 146579597
1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one
CID 126709747
[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-yl] benzenesulfonate
CID 138541269
1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
CID 71143927
CID 161178848
CID 161178848
(2R,3R)-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)-3-[3-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]butan-2-ol
CID 171776290
5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine
CID 118443865
2-ethylsulfanyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 151802827
1-[5-(2-chloropyrimidin-5-yl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
CID 71478182
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 70511532
1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol
CID 162591267

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol?
The IUPAC name of 3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol (CID 118443718) is 3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol.
What is the SMILES notation for 3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol?
The canonical SMILES for 3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol is CC(C)C(O)(Cn1cnnn1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol?
The InChIKey is XJMVJEWVPCDYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-12(2)17(27,10-26-11-23-24-25-26)16-8-5-14(9-22-16)13-3-6-15(7-4-13)28-18(19,20)21/h3-9,11-12,27H,10H2,1-2H3.
What are the key properties of 3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol?
3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol has a molecular weight of 393.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol is sourced from PubChem (CID 118443718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).