3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide

C21H23N5O2S — CID 24620085

IUPAC3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C21H23N5O2S/c1-12-16(13(2)23-20-19(12)14(3)25-26(20)4)7-8-18(27)22-10-15-11-28-21(24-15)17-6-5-9-29-17/h5-6,9,11H,7-8,10H2,1-4H3,(H,22,27)
InChIKeyJTGUHWLKHIEWBK-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.86
Rot. Bonds6

About 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide

3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide (PubChem CID 24620085) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide
PubChem CID24620085
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C21H23N5O2S/c1-12-16(13(2)23-20-19(12)14(3)25-26(20)4)7-8-18(27)22-10-15-11-28-21(24-15)17-6-5-9-29-17/h5-6,9,11H,7-8,10H2,1-4H3,(H,22,27)
InChIKeyJTGUHWLKHIEWBK-UHFFFAOYSA-N
XLogP3.86
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 43042101
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615848
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615799
N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 6625439
N-(4-methylphenyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604260
N-(2-methylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615757
N-[2-(3-chlorophenyl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24665768
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604253
3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 24645958
2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119698131
N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide
CID 24617794
1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111951795

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide (CID 24620085) is 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide is Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1coc(-c2cccs2)n1.
What is the InChIKey of 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide?
The InChIKey is JTGUHWLKHIEWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-12-16(13(2)23-20-19(12)14(3)25-26(20)4)7-8-18(27)22-10-15-11-28-21(24-15)17-6-5-9-29-17/h5-6,9,11H,7-8,10H2,1-4H3,(H,22,27).
What are the key properties of 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide?
3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide has a molecular weight of 409.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide is sourced from PubChem (CID 24620085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).