N-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide

C21H18N4O2S2 — CID 52947268

IUPACN-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
SMILESCNC(=O)c1csc2cc(Oc3ccnc4cc(C5=NCCN5C)sc34)ccc12
InChIInChI=1S/C21H18N4O2S2/c1-22-21(26)14-11-28-17-9-12(3-4-13(14)17)27-16-5-6-23-15-10-18(29-19(15)16)20-24-7-8-25(20)2/h3-6,9-11H,7-8H2,1-2H3,(H,22,26)
InChIKeyCDHZKYJMFPYMBV-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.35
Rot. Bonds4

About N-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide

N-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide (PubChem CID 52947268) has the molecular formula C21H18N4O2S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is N-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
PubChem CID52947268
Molecular FormulaC21H18N4O2S2
Molecular Weight422.54 g/mol
Exact Mass422.09
IUPAC NameN-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
SMILESCNC(=O)c1csc2cc(Oc3ccnc4cc(C5=NCCN5C)sc34)ccc12
InChIInChI=1S/C21H18N4O2S2/c1-22-21(26)14-11-28-17-9-12(3-4-13(14)17)27-16-5-6-23-15-10-18(29-19(15)16)20-24-7-8-25(20)2/h3-6,9-11H,7-8H2,1-2H3,(H,22,26)
InChIKeyCDHZKYJMFPYMBV-UHFFFAOYSA-N
XLogP4.35
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?
The IUPAC name of N-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide (CID 52947268) is N-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide is CNC(=O)c1csc2cc(Oc3ccnc4cc(C5=NCCN5C)sc34)ccc12.
What is the InChIKey of N-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?
The InChIKey is CDHZKYJMFPYMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S2/c1-22-21(26)14-11-28-17-9-12(3-4-13(14)17)27-16-5-6-23-15-10-18(29-19(15)16)20-24-7-8-25(20)2/h3-6,9-11H,7-8H2,1-2H3,(H,22,26).
What are the key properties of N-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?
N-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide has a molecular weight of 422.54 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-(1-methyl-4,5-dihydroimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 52947268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).