[(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

C16H19F2N5O2 — CID 138624285

IUPAC[(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CC(F)(F)C[C@@H](C)C2CO)n1
InChIInChI=1S/C16H19F2N5O2/c1-10-7-16(17,18)9-22(13(10)8-24)15(25)14-12(4-3-11(2)21-14)23-19-5-6-20-23/h3-6,10,13,24H,7-9H2,1-2H3/t10-,13?/m1/s1
InChIKeyKPFNHFOEWVEWNG-VUUHIHSGSA-N
MW351.36 g/mol
LogP1.45
Rot. Bonds3

About [(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

[(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 138624285) has the molecular formula C16H19F2N5O2 and a molecular weight of 351.36 g/mol. Its IUPAC name is [(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
PubChem CID138624285
Molecular FormulaC16H19F2N5O2
Molecular Weight351.36 g/mol
Exact Mass351.15
IUPAC Name[(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CC(F)(F)C[C@@H](C)C2CO)n1
InChIInChI=1S/C16H19F2N5O2/c1-10-7-16(17,18)9-22(13(10)8-24)15(25)14-12(4-3-11(2)21-14)23-19-5-6-20-23/h3-6,10,13,24H,7-9H2,1-2H3/t10-,13?/m1/s1
InChIKeyKPFNHFOEWVEWNG-VUUHIHSGSA-N
XLogP1.45
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 130341769
(3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone;ethane-1,2-diimine
CID 145351549
(3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 167042438
(3-bromo-6-methyl-2-pyridinyl)-[(2S,3R)-2-[[(5-chloropyrimidin-2-yl)amino]methyl]-5,5-difluoro-3-methylpiperidin-1-yl]methanone
CID 130298587
[5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone
CID 147744852
[2-[[(5-chloropyrimidin-2-yl)amino]methyl]-5,5-difluoro-3-methylpiperidin-1-yl]-[5-chloro-2-(triazol-2-yl)phenyl]methanone
CID 153267631
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129026004
[2-[[(5-chloropyrimidin-2-yl)amino]methyl]-5,5-difluoro-3-methylpiperidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 138624096
[(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 148926189
[(2S,3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 130298545
[(3R)-2-[[(5-chloropyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 129025744
[2-[[(5-chloropyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 123427446

Frequently Asked Questions

What is the IUPAC name of [(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 138624285) is [(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CC(F)(F)C[C@@H](C)C2CO)n1.
What is the InChIKey of [(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is KPFNHFOEWVEWNG-VUUHIHSGSA-N. The full InChI is InChI=1S/C16H19F2N5O2/c1-10-7-16(17,18)9-22(13(10)8-24)15(25)14-12(4-3-11(2)21-14)23-19-5-6-20-23/h3-6,10,13,24H,7-9H2,1-2H3/t10-,13?/m1/s1.
What are the key properties of [(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
[(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 351.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 138624285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).