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

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

1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one
CID 122506529
1-[2-[[4-(4-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-3-methyltriazetidin-4-one
CID 118054315
1-[3-cyclopropyl-2-[(2-fluoro-6-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 140719209
1-[2-[(2,5-difluoro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121367399
1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one
CID 118054264
1-[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 118244060
1-[2-[(2,5-dimethylphenoxy)methyl]-3-fluorophenyl]-4-methyltetrazol-5-one
CID 140721163
1-[2-[[2,5-dimethyl-4-(2-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121382566
1-[2-[(2,5-dimethyl-4-pyrazin-2-ylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121367388
1-methyl-4-[3-methyl-2-[(2,3,5,6-tetrafluoro-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121381109
1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one
CID 122519670
1-[2-[[4-(6-chloro-2-pyridinyl)-2,5-dimethylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121367390

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).