2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone

C22H26N4O3 — CID 90571442

IUPAC2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(OCC(=O)N2CCN(Cc3cc4ccccn4n3)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-2-28-20-6-8-21(9-7-20)29-17-22(27)25-13-11-24(12-14-25)16-18-15-19-5-3-4-10-26(19)23-18/h3-10,15H,2,11-14,16-17H2,1H3
InChIKeyNXJQFNCCKHMGRW-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.46
Rot. Bonds7

About 2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone

2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 90571442) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID90571442
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(OCC(=O)N2CCN(Cc3cc4ccccn4n3)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-2-28-20-6-8-21(9-7-20)29-17-22(27)25-13-11-24(12-14-25)16-18-15-19-5-3-4-10-26(19)23-18/h3-10,15H,2,11-14,16-17H2,1H3
InChIKeyNXJQFNCCKHMGRW-UHFFFAOYSA-N
XLogP2.46
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
(3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571382
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 90571310
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108536249
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile
CID 90571532
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
ethyl 2-pyrazolo[1,5-a]pyridin-2-ylacetate
CID 86117468
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 127032087
(2-chloro-4-fluorophenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571504
[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 90571422
1-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 46998642

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone (CID 90571442) is 2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone is CCOc1ccc(OCC(=O)N2CCN(Cc3cc4ccccn4n3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is NXJQFNCCKHMGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-28-20-6-8-21(9-7-20)29-17-22(27)25-13-11-24(12-14-25)16-18-15-19-5-3-4-10-26(19)23-18/h3-10,15H,2,11-14,16-17H2,1H3.
What are the key properties of 2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 394.48 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 90571442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).