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

C26H27N3O5S — CID 10005904

IUPAC6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C(C)C)oc2cc(Oc3ccnc4cc(C(=O)N5CCC(OC)C5)sc34)ccc12
InChIInChI=1S/C26H27N3O5S/c1-14(2)23-22(25(30)27-3)17-6-5-15(11-20(17)34-23)33-19-7-9-28-18-12-21(35-24(18)19)26(31)29-10-8-16(13-29)32-4/h5-7,9,11-12,14,16H,8,10,13H2,1-4H3,(H,27,30)
InChIKeyVGFNVFSXGSUNFE-UHFFFAOYSA-N
MW493.59 g/mol
LogP5.18
Rot. Bonds6

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

6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide (PubChem CID 10005904) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide
PubChem CID10005904
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC Name6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C(C)C)oc2cc(Oc3ccnc4cc(C(=O)N5CCC(OC)C5)sc34)ccc12
InChIInChI=1S/C26H27N3O5S/c1-14(2)23-22(25(30)27-3)17-6-5-15(11-20(17)34-23)33-19-7-9-28-18-12-21(35-24(18)19)26(31)29-10-8-16(13-29)32-4/h5-7,9,11-12,14,16H,8,10,13H2,1-4H3,(H,27,30)
InChIKeyVGFNVFSXGSUNFE-UHFFFAOYSA-N
XLogP5.18
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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
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
1,2-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
2-Ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]benzofuran-3-carboxylic acid methylamide
CID 10345050
N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide
CID 10387284
N-cyclopropyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
CID 10391517
6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide
CID 10456583

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide (CID 10005904) is 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide is CNC(=O)c1c(C(C)C)oc2cc(Oc3ccnc4cc(C(=O)N5CCC(OC)C5)sc34)ccc12.
What is the InChIKey of 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide?
The InChIKey is VGFNVFSXGSUNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-14(2)23-22(25(30)27-3)17-6-5-15(11-20(17)34-23)33-19-7-9-28-18-12-21(35-24(18)19)26(31)29-10-8-16(13-29)32-4/h5-7,9,11-12,14,16H,8,10,13H2,1-4H3,(H,27,30).
What are the key properties of 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide?
6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 10005904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).