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

C25H24N4O3S — CID 20767924

IUPAC2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-methylpropyl)-1-benzofuran-3-carboxamide
SMILESCc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NCC(C)C
InChIInChI=1S/C25H24N4O3S/c1-14(2)13-28-25(30)22-15(3)31-20-11-16(5-6-17(20)22)32-19-7-8-26-18-12-21(33-23(18)19)24-27-9-10-29(24)4/h5-12,14H,13H2,1-4H3,(H,28,30)
InChIKeyLUOOCKLPLUTBGB-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.93
Rot. Bonds6

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

2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-methylpropyl)-1-benzofuran-3-carboxamide (PubChem CID 20767924) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-methylpropyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-methylpropyl)-1-benzofuran-3-carboxamide
PubChem CID20767924
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-methylpropyl)-1-benzofuran-3-carboxamide
SMILESCc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NCC(C)C
InChIInChI=1S/C25H24N4O3S/c1-14(2)13-28-25(30)22-15(3)31-20-11-16(5-6-17(20)22)32-19-7-8-26-18-12-21(33-23(18)19)24-27-9-10-29(24)4/h5-12,14H,13H2,1-4H3,(H,28,30)
InChIKeyLUOOCKLPLUTBGB-UHFFFAOYSA-N
XLogP5.93
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.93
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-(2-methylpropyl)-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-(2-methylpropyl)-1-benzofuran-3-carboxamide (CID 20767924) is 2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-1-benzofuran-3-carboxamide is Cc1oc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NCC(C)C.
What is the InChIKey of 2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-methylpropyl)-1-benzofuran-3-carboxamide?
The InChIKey is LUOOCKLPLUTBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-14(2)13-28-25(30)22-15(3)31-20-11-16(5-6-17(20)22)32-19-7-8-26-18-12-21(33-23(18)19)24-27-9-10-29(24)4/h5-12,14H,13H2,1-4H3,(H,28,30).
What are the key properties of 2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-methylpropyl)-1-benzofuran-3-carboxamide?
2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-methylpropyl)-1-benzofuran-3-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 5.93, 6 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-(2-methylpropyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 20767924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).