[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

C19H19F3N6O2 — CID 92558985

IUPAC[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1ccc(-c2nnc(C3CCN(C(=O)c4cc(C(F)(F)F)n(C)n4)CC3)o2)cn1
InChIInChI=1S/C19H19F3N6O2/c1-11-3-4-13(10-23-11)17-25-24-16(30-17)12-5-7-28(8-6-12)18(29)14-9-15(19(20,21)22)27(2)26-14/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyUKQMTPOOILJGSH-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.21
Rot. Bonds3

About [4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (PubChem CID 92558985) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is [4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
PubChem CID92558985
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Name[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1ccc(-c2nnc(C3CCN(C(=O)c4cc(C(F)(F)F)n(C)n4)CC3)o2)cn1
InChIInChI=1S/C19H19F3N6O2/c1-11-3-4-13(10-23-11)17-25-24-16(30-17)12-5-7-28(8-6-12)18(29)14-9-15(19(20,21)22)27(2)26-14/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyUKQMTPOOILJGSH-UHFFFAOYSA-N
XLogP3.21
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 138008887
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110421450
2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 92558970
2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one
CID 90539797
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-[4-(1,2,4-triazol-4-ylmethyl)piperidin-1-yl]methanone
CID 138008909
1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 98065509
(4-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99963299
2-[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]azepan-4-yl]acetamide
CID 138008808
2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92560326
cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 127244442
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 19297129
2-[(3S)-1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136763974

Frequently Asked Questions

What is the IUPAC name of [4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (CID 92558985) is [4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is Cc1ccc(-c2nnc(C3CCN(C(=O)c4cc(C(F)(F)F)n(C)n4)CC3)o2)cn1.
What is the InChIKey of [4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is UKQMTPOOILJGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-11-3-4-13(10-23-11)17-25-24-16(30-17)12-5-7-28(8-6-12)18(29)14-9-15(19(20,21)22)27(2)26-14/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of [4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 420.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 92558985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).