1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one

C23H22FN5O2 — CID 122519662

IUPAC1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one
SMILESCc1cc(-c2ncccc2F)c(C)cc1COc1c(C)cccc1-n1nnn(C)c1=O
InChIInChI=1S/C23H22FN5O2/c1-14-7-5-9-20(29-23(30)28(4)26-27-29)22(14)31-13-17-11-16(3)18(12-15(17)2)21-19(24)8-6-10-25-21/h5-12H,13H2,1-4H3
InChIKeyZNVZCFIWXBYAKE-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one

1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one (PubChem CID 122519662) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one
PubChem CID122519662
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one
SMILESCc1cc(-c2ncccc2F)c(C)cc1COc1c(C)cccc1-n1nnn(C)c1=O
InChIInChI=1S/C23H22FN5O2/c1-14-7-5-9-20(29-23(30)28(4)26-27-29)22(14)31-13-17-11-16(3)18(12-15(17)2)21-19(24)8-6-10-25-21/h5-12H,13H2,1-4H3
InChIKeyZNVZCFIWXBYAKE-UHFFFAOYSA-N
XLogP3.67
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one (CID 122519662) is 1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one is Cc1cc(-c2ncccc2F)c(C)cc1COc1c(C)cccc1-n1nnn(C)c1=O.
What is the InChIKey of 1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one?
The InChIKey is ZNVZCFIWXBYAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-14-7-5-9-20(29-23(30)28(4)26-27-29)22(14)31-13-17-11-16(3)18(12-15(17)2)21-19(24)8-6-10-25-21/h5-12H,13H2,1-4H3.
What are the key properties of 1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one?
1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one has a molecular weight of 419.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 122519662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).