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

C20H23N5O2 — CID 53203397

IUPAC3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(c3nnc4ccccn34)CC2)cc1
InChIInChI=1S/C20H23N5O2/c1-27-17-8-5-16(6-9-17)7-10-19(26)23-12-14-24(15-13-23)20-22-21-18-4-2-3-11-25(18)20/h2-6,8-9,11H,7,10,12-15H2,1H3
InChIKeyPUWMLTMQSXCNAR-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.02
Rot. Bonds5

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

3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 53203397) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
PubChem CID53203397
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(c3nnc4ccccn34)CC2)cc1
InChIInChI=1S/C20H23N5O2/c1-27-17-8-5-16(6-9-17)7-10-19(26)23-12-14-24(15-13-23)20-22-21-18-4-2-3-11-25(18)20/h2-6,8-9,11H,7,10,12-15H2,1H3
InChIKeyPUWMLTMQSXCNAR-UHFFFAOYSA-N
XLogP2.02
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 83278566
1-[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 53203723
3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 75770583
2-(2-chloro-4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethanone
CID 53203462
1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 53203400
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204329
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 122334067
3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419085
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820
3-(3,5-dimethoxyphenyl)-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 51929162

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one (CID 53203397) is 3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCN(c3nnc4ccccn34)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is PUWMLTMQSXCNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-17-8-5-16(6-9-17)7-10-19(26)23-12-14-24(15-13-23)20-22-21-18-4-2-3-11-25(18)20/h2-6,8-9,11H,7,10,12-15H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 365.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53203397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).