2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide

C22H23N5O2S — CID 27698211

IUPAC2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1ccc(OCc2nc(CC(=O)Nc3cnc4c(cnn4C(C)C)c3)cs2)cc1
InChIInChI=1S/C22H23N5O2S/c1-14(2)27-22-16(10-24-27)8-17(11-23-22)25-20(28)9-18-13-30-21(26-18)12-29-19-6-4-15(3)5-7-19/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,25,28)
InChIKeyFALIWRMYBVVOOA-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.54
Rot. Bonds7

About 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide

2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide (PubChem CID 27698211) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
PubChem CID27698211
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1ccc(OCc2nc(CC(=O)Nc3cnc4c(cnn4C(C)C)c3)cs2)cc1
InChIInChI=1S/C22H23N5O2S/c1-14(2)27-22-16(10-24-27)8-17(11-23-22)25-20(28)9-18-13-30-21(26-18)12-29-19-6-4-15(3)5-7-19/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,25,28)
InChIKeyFALIWRMYBVVOOA-UHFFFAOYSA-N
XLogP4.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 17498942
N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 25488180
N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766
N-[4-(dimethylamino)phenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 112500932
N-(6-chloropyrazin-2-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 47090661
N-(3,5-dimethylphenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide
CID 110341903
N-(5-bromo-2-pyridinyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 55457546
N-[1-(5-methylfuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51266458
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 27895579
N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342123
N-(2-acetamido-5-chlorophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 60605397

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide (CID 27698211) is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide is Cc1ccc(OCc2nc(CC(=O)Nc3cnc4c(cnn4C(C)C)c3)cs2)cc1.
What is the InChIKey of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The InChIKey is FALIWRMYBVVOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-14(2)27-22-16(10-24-27)8-17(11-23-22)25-20(28)9-18-13-30-21(26-18)12-29-19-6-4-15(3)5-7-19/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,25,28).
What are the key properties of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide has a molecular weight of 421.53 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 27698211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).