N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide

C17H14N4OS — CID 947170

IUPACN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
SMILESCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21
InChIInChI=1S/C17H14N4OS/c1-2-21-16-12(10-11-6-3-4-7-13(11)18-16)15(20-21)19-17(22)14-8-5-9-23-14/h3-10H,2H2,1H3,(H,19,20,22)
InChIKeyDHCIIFPSYBOIMY-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.92
Rot. Bonds3

About N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide

N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide (PubChem CID 947170) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
PubChem CID947170
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
SMILESCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21
InChIInChI=1S/C17H14N4OS/c1-2-21-16-12(10-11-6-3-4-7-13(11)18-16)15(20-21)19-17(22)14-8-5-9-23-14/h3-10H,2H2,1H3,(H,19,20,22)
InChIKeyDHCIIFPSYBOIMY-UHFFFAOYSA-N
XLogP3.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Indiplon
CID 6450813
Lorediplon
CID 12004146
N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 2409032
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 1402347
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide
CID 127036564
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 1414959
2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7217784
N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
CID 665225

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide (CID 947170) is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide is CCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21.
What is the InChIKey of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The InChIKey is DHCIIFPSYBOIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-2-21-16-12(10-11-6-3-4-7-13(11)18-16)15(20-21)19-17(22)14-8-5-9-23-14/h3-10H,2H2,1H3,(H,19,20,22).
What are the key properties of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 947170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).