[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone

C22H25FN6O2 — CID 123549080

IUPAC[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
SMILESCCC1CCC(Oc2nccc(N)c2C)CN1C(=O)c1cccc(F)c1-n1nccn1
InChIInChI=1S/C22H25FN6O2/c1-3-15-7-8-16(31-21-14(2)19(24)9-10-25-21)13-28(15)22(30)17-5-4-6-18(23)20(17)29-26-11-12-27-29/h4-6,9-12,15-16H,3,7-8,13H2,1-2H3,(H2,24,25)
InChIKeyQPZIXRYHBJHSMB-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.15
Rot. Bonds5

About [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone

[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone (PubChem CID 123549080) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
PubChem CID123549080
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
SMILESCCC1CCC(Oc2nccc(N)c2C)CN1C(=O)c1cccc(F)c1-n1nccn1
InChIInChI=1S/C22H25FN6O2/c1-3-15-7-8-16(31-21-14(2)19(24)9-10-25-21)13-28(15)22(30)17-5-4-6-18(23)20(17)29-26-11-12-27-29/h4-6,9-12,15-16H,3,7-8,13H2,1-2H3,(H2,24,25)
InChIKeyQPZIXRYHBJHSMB-UHFFFAOYSA-N
XLogP3.15
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 143981173
ethyl 4-ethoxy-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 122630451
[3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
CID 123984776
3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 74222164
[3-fluoro-2-(triazol-2-yl)phenyl]-[(1S,4S,6R)-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 140702375
[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone
CID 123425713
4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
CID 123507857
methyl 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 123392683
methyl 4-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 90241857
[(2R)-5-[[3-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144739519
[(2R,5R)-5-[[3-[(1S)-1-hydroxypropyl]-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055212
[(2R,5R)-5-[[3-[(1R)-1-hydroxypropyl]-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055211

Frequently Asked Questions

What is the IUPAC name of [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone (CID 123549080) is [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone is CCC1CCC(Oc2nccc(N)c2C)CN1C(=O)c1cccc(F)c1-n1nccn1.
What is the InChIKey of [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is QPZIXRYHBJHSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-3-15-7-8-16(31-21-14(2)19(24)9-10-25-21)13-28(15)22(30)17-5-4-6-18(23)20(17)29-26-11-12-27-29/h4-6,9-12,15-16H,3,7-8,13H2,1-2H3,(H2,24,25).
What are the key properties of [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone?
[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 424.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 123549080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).