2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide

C25H22N4O4S — CID 18456607

IUPAC2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)N5CCC5)sc34)cc2)cn1
InChIInChI=1S/C25H22N4O4S/c1-32-23-8-5-17(15-27-23)28-22(30)13-16-3-6-18(7-4-16)33-20-9-10-26-19-14-21(34-24(19)20)25(31)29-11-2-12-29/h3-10,14-15H,2,11-13H2,1H3,(H,28,30)
InChIKeyANWVAEDMGBKIAO-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.52
Rot. Bonds7

About 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide

2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 18456607) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide
PubChem CID18456607
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC Name2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)N5CCC5)sc34)cc2)cn1
InChIInChI=1S/C25H22N4O4S/c1-32-23-8-5-17(15-27-23)28-22(30)13-16-3-6-18(7-4-16)33-20-9-10-26-19-14-21(34-24(19)20)25(31)29-11-2-12-29/h3-10,14-15H,2,11-13H2,1H3,(H,28,30)
InChIKeyANWVAEDMGBKIAO-UHFFFAOYSA-N
XLogP4.52
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide
CID 18456609
azetidin-1-yl-(7-phenoxythieno[3,2-b]pyridin-2-yl)methanone
CID 91328834
2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
CID 18456628
2-[4-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-isoquinolin-3-ylacetamide
CID 11409880
2-[4-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-isoquinolin-3-ylacetamide
CID 18456560
N-[[3-fluoro-4-[2-(piperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide;hydrochloride
CID 86604167
6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid
CID 22143674
2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 87866854
2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 87862442
2-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 33142873
N,1,2-trimethyl-6-[2-(pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
CID 20767885
N-[[4-[2-[3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-phenylacetamide
CID 87541682

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide (CID 18456607) is 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(NC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)N5CCC5)sc34)cc2)cn1.
What is the InChIKey of 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is ANWVAEDMGBKIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-32-23-8-5-17(15-27-23)28-22(30)13-16-3-6-18(7-4-16)33-20-9-10-26-19-14-21(34-24(19)20)25(31)29-11-2-12-29/h3-10,14-15H,2,11-13H2,1H3,(H,28,30).
What are the key properties of 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide?
2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 474.54 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 18456607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).