[2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone

C22H24F3N7O — CID 123291067

IUPAC[2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
SMILESCc1ccc(C(=O)N2CCCC(N(C)c3ccc(C(F)(F)F)cn3)C2C)c(-n2nccn2)n1
InChIInChI=1S/C22H24F3N7O/c1-14-6-8-17(20(29-14)32-27-10-11-28-32)21(33)31-12-4-5-18(15(31)2)30(3)19-9-7-16(13-26-19)22(23,24)25/h6-11,13,15,18H,4-5,12H2,1-3H3
InChIKeyVMIHTVAQWFTSLP-UHFFFAOYSA-N
MW459.48 g/mol
LogP3.51
Rot. Bonds4

About [2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone

[2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone (PubChem CID 123291067) has the molecular formula C22H24F3N7O and a molecular weight of 459.48 g/mol. Its IUPAC name is [2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
PubChem CID123291067
Molecular FormulaC22H24F3N7O
Molecular Weight459.48 g/mol
Exact Mass459.20
IUPAC Name[2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
SMILESCc1ccc(C(=O)N2CCCC(N(C)c3ccc(C(F)(F)F)cn3)C2C)c(-n2nccn2)n1
InChIInChI=1S/C22H24F3N7O/c1-14-6-8-17(20(29-14)32-27-10-11-28-32)21(33)31-12-4-5-18(15(31)2)30(3)19-9-7-16(13-26-19)22(23,24)25/h6-11,13,15,18H,4-5,12H2,1-3H3
InChIKeyVMIHTVAQWFTSLP-UHFFFAOYSA-N
XLogP3.51
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,3R)-2-fluoro-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 134503540
[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 134503246
[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 86271016
[(2R,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271584
[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271014
[3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 123541791
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 90404961
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129026004
(3-methyl-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanone
CID 158844267
[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025653
(2-chloro-6-methyl-3-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 118885604
[5-methyl-2-(triazol-2-yl)phenyl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 147393039

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?
The IUPAC name of [2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone (CID 123291067) is [2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?
The canonical SMILES for [2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone is Cc1ccc(C(=O)N2CCCC(N(C)c3ccc(C(F)(F)F)cn3)C2C)c(-n2nccn2)n1.
What is the InChIKey of [2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?
The InChIKey is VMIHTVAQWFTSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O/c1-14-6-8-17(20(29-14)32-27-10-11-28-32)21(33)31-12-4-5-18(15(31)2)30(3)19-9-7-16(13-26-19)22(23,24)25/h6-11,13,15,18H,4-5,12H2,1-3H3.
What are the key properties of [2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?
[2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone has a molecular weight of 459.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 123291067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).