2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine

C22H21N5O2S — CID 58382734

IUPAC2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESc1cnc2nc(Oc3ccc(CN4CCC(Oc5cnccn5)CC4)cc3)sc2c1
InChIInChI=1S/C22H21N5O2S/c1-2-19-21(25-9-1)26-22(30-19)29-17-5-3-16(4-6-17)15-27-12-7-18(8-13-27)28-20-14-23-10-11-24-20/h1-6,9-11,14,18H,7-8,12-13,15H2
InChIKeyMTOQXYNKXKFLMT-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.32
Rot. Bonds6

About 2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine

2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 58382734) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID58382734
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESc1cnc2nc(Oc3ccc(CN4CCC(Oc5cnccn5)CC4)cc3)sc2c1
InChIInChI=1S/C22H21N5O2S/c1-2-19-21(25-9-1)26-22(30-19)29-17-5-3-16(4-6-17)15-27-12-7-18(8-13-27)28-20-14-23-10-11-24-20/h1-6,9-11,14,18H,7-8,12-13,15H2
InChIKeyMTOQXYNKXKFLMT-UHFFFAOYSA-N
XLogP4.32
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine with MolForge

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Related Compounds

2-chloro-6-[1-[(4-pyrazin-2-yloxyphenyl)methyl]piperidin-4-yl]oxypyrazine
CID 154806612
2-[4-[[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methyl]phenoxy]pyrazine
CID 97160514
2-(4-ethylphenoxy)-[1,3]thiazolo[4,5-b]pyridine
CID 123160790
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine
CID 11279222
4-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]morpholine
CID 57448270
N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 146256746
2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine
CID 58382738
formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 66787476
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 69147289
1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 59577371
1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 57448274
(4R)-5-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 148801355

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine (CID 58382734) is 2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine is c1cnc2nc(Oc3ccc(CN4CCC(Oc5cnccn5)CC4)cc3)sc2c1.
What is the InChIKey of 2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is MTOQXYNKXKFLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-2-19-21(25-9-1)26-22(30-19)29-17-5-3-16(4-6-17)15-27-12-7-18(8-13-27)28-20-14-23-10-11-24-20/h1-6,9-11,14,18H,7-8,12-13,15H2.
What are the key properties of 2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 419.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 58382734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).