2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

C20H23N5O3 — CID 126838363

IUPAC2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc(COCC(=O)N2CCC(c3nnc4ccccn34)CC2)cn1
InChIInChI=1S/C20H23N5O3/c1-27-18-6-5-15(12-21-18)13-28-14-19(26)24-10-7-16(8-11-24)20-23-22-17-4-2-3-9-25(17)20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3
InChIKeyRFONUHGGJANFSA-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.06
Rot. Bonds6

About 2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 126838363) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
PubChem CID126838363
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc(COCC(=O)N2CCC(c3nnc4ccccn34)CC2)cn1
InChIInChI=1S/C20H23N5O3/c1-27-18-6-5-15(12-21-18)13-28-14-19(26)24-10-7-16(8-11-24)20-23-22-17-4-2-3-9-25(17)20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3
InChIKeyRFONUHGGJANFSA-UHFFFAOYSA-N
XLogP2.06
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-benzylphenoxy)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 17430734
(3,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42570360
(4-bromo-3,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35898713
[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 35897336
(3-ethoxy-4-methoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31742735
2-(3-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 134813379
(6-methoxy-3-pyridinyl)methyl 3-cyclopropylimidazo[1,5-a]pyridine-1-carboxylate
CID 75399557
[(2R)-oxolan-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35896294
(6-methyl-3-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35899826
(4-methoxynaphthalen-1-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35898021
3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 118790726
3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 75770583

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone (CID 126838363) is 2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone is COc1ccc(COCC(=O)N2CCC(c3nnc4ccccn34)CC2)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is RFONUHGGJANFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-27-18-6-5-15(12-21-18)13-28-14-19(26)24-10-7-16(8-11-24)20-23-22-17-4-2-3-9-25(17)20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3.
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 381.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methoxy]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126838363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).