1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one

C22H25N3O3 — CID 159400279

IUPAC1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2nc3cccc(OC4CCCCC4)n3n2)c1
InChIInChI=1S/C22H25N3O3/c1-27-19-10-5-7-16(14-19)13-17(26)15-20-23-21-11-6-12-22(25(21)24-20)28-18-8-3-2-4-9-18/h5-7,10-12,14,18H,2-4,8-9,13,15H2,1H3
InChIKeyLNGFVTNOPDCBDF-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.80
Rot. Bonds7

About 1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one

1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one (PubChem CID 159400279) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one
PubChem CID159400279
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2nc3cccc(OC4CCCCC4)n3n2)c1
InChIInChI=1S/C22H25N3O3/c1-27-19-10-5-7-16(14-19)13-17(26)15-20-23-21-11-6-12-22(25(21)24-20)28-18-8-3-2-4-9-18/h5-7,10-12,14,18H,2-4,8-9,13,15H2,1H3
InChIKeyLNGFVTNOPDCBDF-UHFFFAOYSA-N
XLogP3.80
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one with MolForge

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Related Compounds

1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
CID 119619150
1-cyclopropyl-2-[5-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
CID 160837644
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 43421553
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156253
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
2-(3-methoxyphenyl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95314657
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid
CID 61009136

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one (CID 159400279) is 1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)Cc2nc3cccc(OC4CCCCC4)n3n2)c1.
What is the InChIKey of 1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one?
The InChIKey is LNGFVTNOPDCBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-19-10-5-7-16(14-19)13-17(26)15-20-23-21-11-6-12-22(25(21)24-20)28-18-8-3-2-4-9-18/h5-7,10-12,14,18H,2-4,8-9,13,15H2,1H3.
What are the key properties of 1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one?
1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one has a molecular weight of 379.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 159400279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).