2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C15H16N4O2S — CID 75418170

IUPAC2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(C)c2c(N)c(C(=O)OCCn3cccn3)sc2n1
InChIInChI=1S/C15H16N4O2S/c1-9-8-10(2)18-14-11(9)12(16)13(22-14)15(20)21-7-6-19-5-3-4-17-19/h3-5,8H,6-7,16H2,1-2H3
InChIKeyIDHDSILRVYXXHD-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.55
Rot. Bonds4

About 2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 75418170) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID75418170
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(C)c2c(N)c(C(=O)OCCn3cccn3)sc2n1
InChIInChI=1S/C15H16N4O2S/c1-9-8-10(2)18-14-11(9)12(16)13(22-14)15(20)21-7-6-19-5-3-4-17-19/h3-5,8H,6-7,16H2,1-2H3
InChIKeyIDHDSILRVYXXHD-UHFFFAOYSA-N
XLogP2.55
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of 2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (CID 75418170) is 2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for 2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is Cc1cc(C)c2c(N)c(C(=O)OCCn3cccn3)sc2n1.
What is the InChIKey of 2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is IDHDSILRVYXXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-8-10(2)18-14-11(9)12(16)13(22-14)15(20)21-7-6-19-5-3-4-17-19/h3-5,8H,6-7,16H2,1-2H3.
What are the key properties of 2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 316.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 75418170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).