[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone

C20H20F3N7O2 — CID 123817148

IUPAC[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCC1CCC(Oc2cc(N)ccn2)CN1C(=O)c1ccc(C(F)(F)F)nc1-n1nccn1
InChIInChI=1S/C20H20F3N7O2/c1-12-2-3-14(32-17-10-13(24)6-7-25-17)11-29(12)19(31)15-4-5-16(20(21,22)23)28-18(15)30-26-8-9-27-30/h4-10,12,14H,2-3,11H2,1H3,(H2,24,25)
InChIKeyPKGKAZBQCBTCAN-UHFFFAOYSA-N
MW447.42 g/mol
LogP2.73
Rot. Bonds4

About [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone

[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 123817148) has the molecular formula C20H20F3N7O2 and a molecular weight of 447.42 g/mol. Its IUPAC name is [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID123817148
Molecular FormulaC20H20F3N7O2
Molecular Weight447.42 g/mol
Exact Mass447.16
IUPAC Name[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCC1CCC(Oc2cc(N)ccn2)CN1C(=O)c1ccc(C(F)(F)F)nc1-n1nccn1
InChIInChI=1S/C20H20F3N7O2/c1-12-2-3-14(32-17-10-13(24)6-7-25-17)11-29(12)19(31)15-4-5-16(20(21,22)23)28-18(15)30-26-8-9-27-30/h4-10,12,14H,2-3,11H2,1H3,(H2,24,25)
InChIKeyPKGKAZBQCBTCAN-UHFFFAOYSA-N
XLogP2.73
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 123879320
[5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123930986
2-[(3R,6R)-1-[4-cyano-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526395
[(2R,5R)-2-methyl-5-[[4-(oxetan-3-yloxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78325001
[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)-3-pyridinyl]methanone
CID 78324920
[(2R,5R)-5-[[4-(1,1-difluoro-2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86281448
[(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone
CID 78324973
[(2R,5R)-5-[[4-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78324952
[(2R,5R)-2-methyl-5-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone
CID 78324940
[2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 46212820
[(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one
CID 158066980
[(2R,5R)-2-methyl-5-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134144793

Frequently Asked Questions

What is the IUPAC name of [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 123817148) is [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone is CC1CCC(Oc2cc(N)ccn2)CN1C(=O)c1ccc(C(F)(F)F)nc1-n1nccn1.
What is the InChIKey of [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is PKGKAZBQCBTCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O2/c1-12-2-3-14(32-17-10-13(24)6-7-25-17)11-29(12)19(31)15-4-5-16(20(21,22)23)28-18(15)30-26-8-9-27-30/h4-10,12,14H,2-3,11H2,1H3,(H2,24,25).
What are the key properties of [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone?
[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 447.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 123817148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).