2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide

C24H20N4O3S — CID 18456619

IUPAC2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1ccc(Oc2ccnc3cc(C(=O)N4CCC4)sc23)cc1)Nc1ccncc1
InChIInChI=1S/C24H20N4O3S/c29-22(27-17-6-9-25-10-7-17)14-16-2-4-18(5-3-16)31-20-8-11-26-19-15-21(32-23(19)20)24(30)28-12-1-13-28/h2-11,15H,1,12-14H2,(H,25,27,29)
InChIKeyJKBHVTLGGHSWGD-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.51
Rot. Bonds6

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

2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide (PubChem CID 18456619) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide
PubChem CID18456619
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1ccc(Oc2ccnc3cc(C(=O)N4CCC4)sc23)cc1)Nc1ccncc1
InChIInChI=1S/C24H20N4O3S/c29-22(27-17-6-9-25-10-7-17)14-16-2-4-18(5-3-16)31-20-8-11-26-19-15-21(32-23(19)20)24(30)28-12-1-13-28/h2-11,15H,1,12-14H2,(H,25,27,29)
InChIKeyJKBHVTLGGHSWGD-UHFFFAOYSA-N
XLogP4.51
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide with MolForge

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Related Compounds

Thieno[3,2-b]pyridine-based inhibitor, 8a
CID 11518616
Thieno[3,2-b]pyridine-based inhibitor, 8d
CID 11533908
Thieno[3,2-b]pyridine-based inhibitor, 8b
CID 11540508
1-(4-(2-(Dimethylcarbamoyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-phenylacetyl)thiourea
CID 11540724
3-(3-Fluoro-4-{[2-(pyrrolidin-1-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 11671030
3-(3-Fluoro-4-{[2-(morpholin-4-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 11599241
3-[3-Fluoro-4-({2-[(4-methylpiperazin-1-yl)carbonyl]thieno[3,2-b]pyridin-7-yl}oxy)phenyl]-1-(2-phenylacetyl)thiourea
CID 24901703
2-phenyl-N-[(4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]acetamide
CID 11697050
N1-(3-fluoro-4-(2-(pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N3-phenylmalonamide
CID 45488051
(R)-N1-(4-(2-(3-(dimethylamino)pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-phenylmalonamide
CID 45488073
Ethyl 4-[({7-[3-fluoro-4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]thieno[3,2-b]pyridin-2-yl}carbonyl)amino]butanoate
CID 86290273
4-[({7-[4-({[(2-Fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]thieno[3,2-b]pyridin-2-yl}carbonyl)amino]butanoic acid
CID 51040946

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide (CID 18456619) is 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide is O=C(Cc1ccc(Oc2ccnc3cc(C(=O)N4CCC4)sc23)cc1)Nc1ccncc1.
What is the InChIKey of 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide?
The InChIKey is JKBHVTLGGHSWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c29-22(27-17-6-9-25-10-7-17)14-16-2-4-18(5-3-16)31-20-8-11-26-19-15-21(32-23(19)20)24(30)28-12-1-13-28/h2-11,15H,1,12-14H2,(H,25,27,29).
What are the key properties of 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide?
2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide has a molecular weight of 444.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-pyridin-4-ylacetamide is sourced from PubChem (CID 18456619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).