5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide

C12H9ClN4OS — CID 166349844

IUPAC5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCN(C(=O)c1cc2nc(Cl)ccc2s1)c1cn[nH]c1
InChIInChI=1S/C12H9ClN4OS/c1-17(7-5-14-15-6-7)12(18)10-4-8-9(19-10)2-3-11(13)16-8/h2-6H,1H3,(H,14,15)
InChIKeyMQKILBQKZAMEMN-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.95
Rot. Bonds2

About 5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide

5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 166349844) has the molecular formula C12H9ClN4OS and a molecular weight of 292.75 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID166349844
Molecular FormulaC12H9ClN4OS
Molecular Weight292.75 g/mol
Exact Mass292.02
IUPAC Name5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCN(C(=O)c1cc2nc(Cl)ccc2s1)c1cn[nH]c1
InChIInChI=1S/C12H9ClN4OS/c1-17(7-5-14-15-6-7)12(18)10-4-8-9(19-10)2-3-11(13)16-8/h2-6H,1H3,(H,14,15)
InChIKeyMQKILBQKZAMEMN-UHFFFAOYSA-N
XLogP2.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide (CID 166349844) is 5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide is CN(C(=O)c1cc2nc(Cl)ccc2s1)c1cn[nH]c1.
What is the InChIKey of 5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is MQKILBQKZAMEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4OS/c1-17(7-5-14-15-6-7)12(18)10-4-8-9(19-10)2-3-11(13)16-8/h2-6H,1H3,(H,14,15).
What are the key properties of 5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide?
5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 292.75 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 166349844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).