[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone

C21H21F3N6O2 — CID 123724107

IUPAC[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCC(Nc3cnc(C(F)(F)F)cn3)C2C)c(-c2ncco2)c1
InChIInChI=1S/C21H21F3N6O2/c1-12-8-14(19-25-5-7-32-19)18(28-9-12)20(31)30-6-3-4-15(13(30)2)29-17-11-26-16(10-27-17)21(22,23)24/h5,7-11,13,15H,3-4,6H2,1-2H3,(H,27,29)
InChIKeySKZIGMBUQNZHIV-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.96
Rot. Bonds4

About [5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone

[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 123724107) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is [5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
PubChem CID123724107
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCC(Nc3cnc(C(F)(F)F)cn3)C2C)c(-c2ncco2)c1
InChIInChI=1S/C21H21F3N6O2/c1-12-8-14(19-25-5-7-32-19)18(28-9-12)20(31)30-6-3-4-15(13(30)2)29-17-11-26-16(10-27-17)21(22,23)24/h5,7-11,13,15H,3-4,6H2,1-2H3,(H,27,29)
InChIKeySKZIGMBUQNZHIV-UHFFFAOYSA-N
XLogP3.96
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 90405686
[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90405036
(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 140702410
[5-methyl-3-(2H-triazol-4-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
CID 90406182
[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 86271016
[6-methyl-3-(triazol-1-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 86271864
[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271014
[(2R,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271584
[2-methyl-3-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90405505
N-[(2S,3R)-2-methyl-1-[[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methyl]piperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine
CID 134503293
[(2S,3R)-2-methyl-3-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90442581
[3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123296473

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of [5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone (CID 123724107) is [5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for [5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone is Cc1cnc(C(=O)N2CCCC(Nc3cnc(C(F)(F)F)cn3)C2C)c(-c2ncco2)c1.
What is the InChIKey of [5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is SKZIGMBUQNZHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-12-8-14(19-25-5-7-32-19)18(28-9-12)20(31)30-6-3-4-15(13(30)2)29-17-11-26-16(10-27-17)21(22,23)24/h5,7-11,13,15H,3-4,6H2,1-2H3,(H,27,29).
What are the key properties of [5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone?
[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 446.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 123724107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).