methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate

C22H18FN5O3 — CID 66806386

IUPACmethyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2cc(C)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)n1
InChIInChI=1S/C22H18FN5O3/c1-14-11-16(22-25-27-28(26-22)13-21(29)30-2)12-20(24-14)15-3-7-18(8-4-15)31-19-9-5-17(23)6-10-19/h3-12H,13H2,1-2H3
InChIKeyOUNXRMJDPDEYLR-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.81
Rot. Bonds6

About methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate

methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate (PubChem CID 66806386) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate
PubChem CID66806386
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC Namemethyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2cc(C)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)n1
InChIInChI=1S/C22H18FN5O3/c1-14-11-16(22-25-27-28(26-22)13-21(29)30-2)12-20(24-14)15-3-7-18(8-4-15)31-19-9-5-17(23)6-10-19/h3-12H,13H2,1-2H3
InChIKeyOUNXRMJDPDEYLR-UHFFFAOYSA-N
XLogP3.81
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate with MolForge

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Related Compounds

dimethyl 5-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 7713251
N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 16517367
methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate
CID 860890
2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid
CID 1134074
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 7993306
2-[[2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carbonyl]amino]ethyl-trimethylazanium iodide
CID 71566252
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8588061
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825649
tert-butyl 2-[[2-[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetyl]amino]acetate
CID 68943947
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 46627699
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 8023934
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 17443727

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate (CID 66806386) is methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate is COC(=O)Cn1nnc(-c2cc(C)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)n1.
What is the InChIKey of methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate?
The InChIKey is OUNXRMJDPDEYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3/c1-14-11-16(22-25-27-28(26-22)13-21(29)30-2)12-20(24-14)15-3-7-18(8-4-15)31-19-9-5-17(23)6-10-19/h3-12H,13H2,1-2H3.
What are the key properties of methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate?
methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate has a molecular weight of 419.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]acetate is sourced from PubChem (CID 66806386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).