1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one

C22H20FN5O2 — CID 118965530

IUPAC1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
SMILESCc1ccc(-c2cccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c2F)cn1
InChIInChI=1S/C22H20FN5O2/c1-14-6-4-8-19(28-22(29)27(3)25-26-28)18(14)13-30-20-9-5-7-17(21(20)23)16-11-10-15(2)24-12-16/h4-12H,13H2,1-3H3
InChIKeyINCUJSJPCOYDTR-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.36
Rot. Bonds5

About 1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one

1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one (PubChem CID 118965530) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
PubChem CID118965530
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
SMILESCc1ccc(-c2cccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c2F)cn1
InChIInChI=1S/C22H20FN5O2/c1-14-6-4-8-19(28-22(29)27(3)25-26-28)18(14)13-30-20-9-5-7-17(21(20)23)16-11-10-15(2)24-12-16/h4-12H,13H2,1-3H3
InChIKeyINCUJSJPCOYDTR-UHFFFAOYSA-N
XLogP3.36
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluorophenyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide
CID 24733734
2-[2-Ethoxy-6-(4-fluorophenyl)phenyl]pyridine
CID 101456130
1-[(3S)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 9980313
1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 10094414
N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N-methylpyrrole-1-carboxamide
CID 10138028
6-(4-Fluoro-phenyl)-2-methyl-3-[3-Methyl-4-(4-[1,2,3]triazol-1-yl-butyl)-phenoxymethyl]-pyridine
CID 16064886
1-[(4R)-2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-yl]-1-(3-methylisoquinolin-5-yl)urea
CID 46912957
1-[5-[4-(4-Fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58722315
1-[5-[4-(4-Fluorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58722320
1-[5-[4-(4-Fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58722326
1-[5-[4-(4-Fluorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58722329
8-(3-Methoxyphenyl)-7-(4-methylphenyl)-2-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716511

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one (CID 118965530) is 1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one is Cc1ccc(-c2cccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c2F)cn1.
What is the InChIKey of 1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one?
The InChIKey is INCUJSJPCOYDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-14-6-4-8-19(28-22(29)27(3)25-26-28)18(14)13-30-20-9-5-7-17(21(20)23)16-11-10-15(2)24-12-16/h4-12H,13H2,1-3H3.
What are the key properties of 1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one?
1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one has a molecular weight of 405.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-fluoro-3-(6-methyl-3-pyridinyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 118965530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).