5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide

C15H16ClN3O3S — CID 169032492

IUPAC5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide
SMILESO=C(NC1COC1)c1cc2nc(Cl)cc(N3CCOCC3)c2s1
InChIInChI=1S/C15H16ClN3O3S/c16-13-6-11(19-1-3-21-4-2-19)14-10(18-13)5-12(23-14)15(20)17-9-7-22-8-9/h5-6,9H,1-4,7-8H2,(H,17,20)
InChIKeyYQEQGCVUPYAUCG-UHFFFAOYSA-N
MW353.83 g/mol
LogP1.91
Rot. Bonds3

About 5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide

5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 169032492) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID169032492
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide
SMILESO=C(NC1COC1)c1cc2nc(Cl)cc(N3CCOCC3)c2s1
InChIInChI=1S/C15H16ClN3O3S/c16-13-6-11(19-1-3-21-4-2-19)14-10(18-13)5-12(23-14)15(20)17-9-7-22-8-9/h5-6,9H,1-4,7-8H2,(H,17,20)
InChIKeyYQEQGCVUPYAUCG-UHFFFAOYSA-N
XLogP1.91
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-(oxolan-3-yl)thieno[3,2-b]pyridine-2-carboxamide
CID 169032571
5-[3-(3-methylphenyl)pyrazol-1-yl]-N-(1-methylpyrrolidin-3-yl)-7-morpholin-4-ylthieno[3,2-b]pyridine-2-carboxamide
CID 169032761
2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide
CID 130485725
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80712681
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 41200888
2-chloro-4-morpholin-4-yl-N-[2-[4-(prop-2-enoylamino)phenyl]ethyl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 58441551
N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide
CID 110237363
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-morpholin-4-ylphenyl)-1-benzothiophene-2-carboxamide
CID 58675264
5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide
CID 46961308
ethyl 2-[4-[[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxylate
CID 87222704
7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid
CID 121427368

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide (CID 169032492) is 5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide is O=C(NC1COC1)c1cc2nc(Cl)cc(N3CCOCC3)c2s1.
What is the InChIKey of 5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is YQEQGCVUPYAUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c16-13-6-11(19-1-3-21-4-2-19)14-10(18-13)5-12(23-14)15(20)17-9-7-22-8-9/h5-6,9H,1-4,7-8H2,(H,17,20).
What are the key properties of 5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide?
5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 353.83 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 169032492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).