[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone

C18H23F4N3O — CID 171409025

IUPAC[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone
SMILESCC(C)C1CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1
InChIInChI=1S/C18H23F4N3O/c1-11(2)12-9-25(10-12)13-4-7-24(8-5-13)17(26)14-3-6-23-16(15(14)19)18(20,21)22/h3,6,11-13H,4-5,7-10H2,1-2H3
InChIKeyGDTBOKCGLXUKHH-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.43
Rot. Bonds3

About [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone

[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone (PubChem CID 171409025) has the molecular formula C18H23F4N3O and a molecular weight of 373.39 g/mol. Its IUPAC name is [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone
PubChem CID171409025
Molecular FormulaC18H23F4N3O
Molecular Weight373.39 g/mol
Exact Mass373.18
IUPAC Name[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone
SMILESCC(C)C1CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1
InChIInChI=1S/C18H23F4N3O/c1-11(2)12-9-25(10-12)13-4-7-24(8-5-13)17(26)14-3-6-23-16(15(14)19)18(20,21)22/h3,6,11-13H,4-5,7-10H2,1-2H3
InChIKeyGDTBOKCGLXUKHH-UHFFFAOYSA-N
XLogP3.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-(ethylamino)-3-fluoro-4-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837597
2-[3-[4-(1-ethylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-1-yl]-1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]acetonitrile
CID 166950453
1-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-2-methylbutan-1-one
CID 142587135
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 105387219
(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 105381176
(2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 81481697
1-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]propan-1-one
CID 161227421
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(5S)-2-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169023938
propyl 4-[1-[3-(cyanomethyl)-1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138597581
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-fluoro-2-propan-2-yloxy-4-pyridinyl)methanone
CID 166338931

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone (CID 171409025) is [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone is CC(C)C1CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1.
What is the InChIKey of [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is GDTBOKCGLXUKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F4N3O/c1-11(2)12-9-25(10-12)13-4-7-24(8-5-13)17(26)14-3-6-23-16(15(14)19)18(20,21)22/h3,6,11-13H,4-5,7-10H2,1-2H3.
What are the key properties of [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone?
[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 373.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 171409025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).