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

C24H22N4O3S — CID 20767930

IUPAC2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide
SMILESCc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NC(C)C
InChIInChI=1S/C24H22N4O3S/c1-13(2)27-24(29)21-14(3)30-19-11-15(5-6-16(19)21)31-18-7-8-25-17-12-20(32-22(17)18)23-26-9-10-28(23)4/h5-13H,1-4H3,(H,27,29)
InChIKeyOODXOZOXRGGTPB-UHFFFAOYSA-N
MW446.53 g/mol
LogP5.68
Rot. Bonds5

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

2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide (PubChem CID 20767930) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide
PubChem CID20767930
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide
SMILESCc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NC(C)C
InChIInChI=1S/C24H22N4O3S/c1-13(2)27-24(29)21-14(3)30-19-11-15(5-6-16(19)21)31-18-7-8-25-17-12-20(32-22(17)18)23-26-9-10-28(23)4/h5-13H,1-4H3,(H,27,29)
InChIKeyOODXOZOXRGGTPB-UHFFFAOYSA-N
XLogP5.68
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide (CID 20767930) is 2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide is Cc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NC(C)C.
What is the InChIKey of 2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide?
The InChIKey is OODXOZOXRGGTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-13(2)27-24(29)21-14(3)30-19-11-15(5-6-16(19)21)31-18-7-8-25-17-12-20(32-22(17)18)23-26-9-10-28(23)4/h5-13H,1-4H3,(H,27,29).
What are the key properties of 2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide?
2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propan-2-yl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 20767930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).