ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

C15H17N3O2S — CID 91149563

IUPACethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)C1C(C)=Nc2n[nH]c(C)c2C1c1cccs1
InChIInChI=1S/C15H17N3O2S/c1-4-20-15(19)12-8(2)16-14-11(9(3)17-18-14)13(12)10-6-5-7-21-10/h5-7,12-13H,4H2,1-3H3,(H,17,18)
InChIKeyYJMLAPIAXHCTKL-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.20
Rot. Bonds3

About ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 91149563) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID91149563
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Nameethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)C1C(C)=Nc2n[nH]c(C)c2C1c1cccs1
InChIInChI=1S/C15H17N3O2S/c1-4-20-15(19)12-8(2)16-14-11(9(3)17-18-14)13(12)10-6-5-7-21-10/h5-7,12-13H,4H2,1-3H3,(H,17,18)
InChIKeyYJMLAPIAXHCTKL-UHFFFAOYSA-N
XLogP3.20
TPSA67.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl (4S,7S)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6971718
ethyl (4R,7R)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6971721
ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 91391062
ethyl (4S)-5-cyano-2-methyl-6-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate
CID 7072290
ethyl 5-cyano-2-methyl-6-prop-2-ynylsulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate
CID 78444362
methyl 2-butylsulfanyl-7-methyl-4-oxo-5-thiophen-2-yl-5,6-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 137248450
2-ethylsulfanylethyl (4S)-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 7168309
ethyl (4S,7S)-7-(furan-2-yl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7449131
ethyl 4-[(4S)-3-methyl-6-oxo-4-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 1384232
2-methoxyethyl (4R)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7113836
ethyl (4R,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6963226
methyl (4R,7R)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6960435

Frequently Asked Questions

What is the IUPAC name of ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate (CID 91149563) is ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)C1C(C)=Nc2n[nH]c(C)c2C1c1cccs1.
What is the InChIKey of ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is YJMLAPIAXHCTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-4-20-15(19)12-8(2)16-14-11(9(3)17-18-14)13(12)10-6-5-7-21-10/h5-7,12-13H,4H2,1-3H3,(H,17,18).
What are the key properties of ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 303.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,6-dimethyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 91149563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).