1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone

C22H21N5O2S — CID 177165149

IUPAC1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-c2csc(-c3cnn4ccccc34)n2)cc1)N1CCNCC1
InChIInChI=1S/C22H21N5O2S/c28-21(26-11-8-23-9-12-26)14-29-17-6-4-16(5-7-17)19-15-30-22(25-19)18-13-24-27-10-2-1-3-20(18)27/h1-7,10,13,15,23H,8-9,11-12,14H2
InChIKeyDQOYLXCPTOSUFP-UHFFFAOYSA-N
MW419.51 g/mol
LogP2.94
Rot. Bonds5

About 1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone

1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone (PubChem CID 177165149) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone
PubChem CID177165149
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-c2csc(-c3cnn4ccccc34)n2)cc1)N1CCNCC1
InChIInChI=1S/C22H21N5O2S/c28-21(26-11-8-23-9-12-26)14-29-17-6-4-16(5-7-17)19-15-30-22(25-19)18-13-24-27-10-2-1-3-20(18)27/h1-7,10,13,15,23H,8-9,11-12,14H2
InChIKeyDQOYLXCPTOSUFP-UHFFFAOYSA-N
XLogP2.94
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol
CID 177165114
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid
CID 82147640
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 119402790
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride
CID 119414481
2-(4-benzoylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119415956
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
1-piperazin-1-yl-2-quinolin-7-yloxyethanone
CID 107313752
1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone
CID 67980822
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023
1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone
CID 28916794
2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one
CID 118323806

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone?
The IUPAC name of 1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone (CID 177165149) is 1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone is O=C(COc1ccc(-c2csc(-c3cnn4ccccc34)n2)cc1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone?
The InChIKey is DQOYLXCPTOSUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c28-21(26-11-8-23-9-12-26)14-29-17-6-4-16(5-7-17)19-15-30-22(25-19)18-13-24-27-10-2-1-3-20(18)27/h1-7,10,13,15,23H,8-9,11-12,14H2.
What are the key properties of 1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone?
1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone has a molecular weight of 419.51 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone is sourced from PubChem (CID 177165149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).