2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide

C25H25N3O5S — CID 10345050

IUPAC2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide
SMILESCCc1oc2cc(Oc3ccnc4cc(C(=O)N5CCC(OC)C5)sc34)ccc2c1C(=O)NC
InChIInChI=1S/C25H25N3O5S/c1-4-18-22(24(29)26-2)16-6-5-14(11-20(16)33-18)32-19-7-9-27-17-12-21(34-23(17)19)25(30)28-10-8-15(13-28)31-3/h5-7,9,11-12,15H,4,8,10,13H2,1-3H3,(H,26,29)
InChIKeyABHKECZBPQBTAB-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.62
Rot. Bonds6

About 2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide

2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 10345050) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide
PubChem CID10345050
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide
SMILESCCc1oc2cc(Oc3ccnc4cc(C(=O)N5CCC(OC)C5)sc34)ccc2c1C(=O)NC
InChIInChI=1S/C25H25N3O5S/c1-4-18-22(24(29)26-2)16-6-5-14(11-20(16)33-18)32-19-7-9-27-17-12-21(34-23(17)19)25(30)28-10-8-15(13-28)31-3/h5-7,9,11-12,15H,4,8,10,13H2,1-3H3,(H,26,29)
InChIKeyABHKECZBPQBTAB-UHFFFAOYSA-N
XLogP4.62
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide
CID 49834281
1-[5-[[6-([1,3]Thiazolo[4,5-c]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 59577537
N-[(1S,5R)-8-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 59577638
6-(4-Methoxyphenyl)-4-(pyridin-2-ylmethoxy)-3-thiophen-2-yl-1-benzofuran-2-amine
CID 137639494
4-[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-(4-methoxyphenyl)-3-thiophen-2-yl-1-benzofuran-2-amine
CID 137655322
5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 11213773
2-Methyl-6-(thieno[3,2-b]pyridin-7-yloxy)-benzofuran-3-carboxylic acid [2-(6-fluoro-1H-indol-3-yl)-ethyl]-amide
CID 20767889
1-[3-Fluoro-4-[2-(pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione
CID 161399982
6-(2-[3-Methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yloxy)-2-(1-methylethyl)benzofuran-3-carboxylic acid methylamide
CID 10005904
1,2-dimethyl-6-(2-[3-methoxy-pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yloxy)-1H-indole-3-carboxylic acid methylamide
CID 10050758
6-[2-(3-methoxypyrrolidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]-1-methyl-1H-indole-3-carboxylic acid methylamide
CID 10095985
N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide
CID 10387284

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide (CID 10345050) is 2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide is CCc1oc2cc(Oc3ccnc4cc(C(=O)N5CCC(OC)C5)sc34)ccc2c1C(=O)NC.
What is the InChIKey of 2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is ABHKECZBPQBTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-4-18-22(24(29)26-2)16-6-5-14(11-20(16)33-18)32-19-7-9-27-17-12-21(34-23(17)19)25(30)28-10-8-15(13-28)31-3/h5-7,9,11-12,15H,4,8,10,13H2,1-3H3,(H,26,29).
What are the key properties of 2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide?
2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 10345050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).