N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide

C23H20N4O3S — CID 20767935

IUPACN,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide
SMILESCc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)N(C)C
InChIInChI=1S/C23H20N4O3S/c1-13-20(23(28)26(2)3)15-6-5-14(11-18(15)29-13)30-17-7-8-24-16-12-19(31-21(16)17)22-25-9-10-27(22)4/h5-12H,1-4H3
InChIKeyBFAIEXCWIPKSLX-UHFFFAOYSA-N
MW432.51 g/mol
LogP5.25
Rot. Bonds4

About N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide

N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide (PubChem CID 20767935) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide
PubChem CID20767935
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide
SMILESCc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)N(C)C
InChIInChI=1S/C23H20N4O3S/c1-13-20(23(28)26(2)3)15-6-5-14(11-18(15)29-13)30-17-7-8-24-16-12-19(31-21(16)17)22-25-9-10-27(22)4/h5-12H,1-4H3
InChIKeyBFAIEXCWIPKSLX-UHFFFAOYSA-N
XLogP5.25
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-(Piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 59577564
1-[5-[[6-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 59577703
1-[1-[[6-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 59577729
1-[(1S,4S)-5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 66787512
AG-28262
CID 10025935
1-Methyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-2-trifluoromethyl-1H-indole-3-carboxylic acid methylamide
CID 20767887
N-[2-(5-fluoro-3H-benzimidazol-1-ium-1-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide
CID 23572876
1-[3-Fluoro-4-[2-[1-methyl-5-(pyrrolidine-1-carbonyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one
CID 58474631
1-[[2-[7-[4-(3-Cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]pyrrolidin-2-one
CID 58474768
1-Cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(pyrrolidine-1-carbonyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474857
2-[[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 59577388
5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one
CID 59577445

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide?
The IUPAC name of N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide (CID 20767935) is N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide?
The canonical SMILES for N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide is Cc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide?
The InChIKey is BFAIEXCWIPKSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-13-20(23(28)26(2)3)15-6-5-14(11-18(15)29-13)30-17-7-8-24-16-12-19(31-21(16)17)22-25-9-10-27(22)4/h5-12H,1-4H3.
What are the key properties of N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide?
N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 20767935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).