[5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone

C22H20ClF5N6O2 — CID 130342107

IUPAC[5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESCC1CC(F)(F)CN(C(=O)c2cc(Cl)ccc2-c2nnn(C)n2)C1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H20ClF5N6O2/c1-12-8-21(24,25)11-34(17(12)10-36-18-6-3-13(9-29-18)22(26,27)28)20(35)16-7-14(23)4-5-15(16)19-30-32-33(2)31-19/h3-7,9,12,17H,8,10-11H2,1-2H3
InChIKeyJYCHFIRURVXRDU-UHFFFAOYSA-N
MW530.89 g/mol
LogP4.51
Rot. Bonds5

About [5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone

[5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone (PubChem CID 130342107) has the molecular formula C22H20ClF5N6O2 and a molecular weight of 530.89 g/mol. Its IUPAC name is [5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
PubChem CID130342107
Molecular FormulaC22H20ClF5N6O2
Molecular Weight530.89 g/mol
Exact Mass530.13
IUPAC Name[5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESCC1CC(F)(F)CN(C(=O)c2cc(Cl)ccc2-c2nnn(C)n2)C1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H20ClF5N6O2/c1-12-8-21(24,25)11-34(17(12)10-36-18-6-3-13(9-29-18)22(26,27)28)20(35)16-7-14(23)4-5-15(16)19-30-32-33(2)31-19/h3-7,9,12,17H,8,10-11H2,1-2H3
InChIKeyJYCHFIRURVXRDU-UHFFFAOYSA-N
XLogP4.51
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.89
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[4-(5-fluoropyrimidin-2-yl)-1-methylpyrazol-3-yl]methanone
CID 138624143
2-amino-3-(4-chlorophenyl)-1-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-4-methyliminobut-2-en-1-one
CID 147987140
[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone
CID 130298604
[(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone
CID 130341544
[(2S)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone
CID 138624103
[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(3-methyl-3-pyrimidin-2-yl-2H-pyridin-2-yl)methanone
CID 130298546
[5-chloro-2-(tetrazol-2-yl)phenyl]-[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 130341782
[2-[[(5-chloropyrimidin-2-yl)amino]methyl]-5,5-difluoro-3-methylpiperidin-1-yl]-(5-chloro-2-pyrimidin-2-ylphenyl)methanone
CID 147249902
[(2S,3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 130342040
(5-fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123536705
[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyrimidin-2-ylpyrazol-3-yl)methanone
CID 130298567
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 130342269

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The IUPAC name of [5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone (CID 130342107) is [5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone is CC1CC(F)(F)CN(C(=O)c2cc(Cl)ccc2-c2nnn(C)n2)C1COc1ccc(C(F)(F)F)cn1.
What is the InChIKey of [5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The InChIKey is JYCHFIRURVXRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF5N6O2/c1-12-8-21(24,25)11-34(17(12)10-36-18-6-3-13(9-29-18)22(26,27)28)20(35)16-7-14(23)4-5-15(16)19-30-32-33(2)31-19/h3-7,9,12,17H,8,10-11H2,1-2H3.
What are the key properties of [5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
[5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone has a molecular weight of 530.89 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 130342107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).