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

C24H20N4O2S2 — CID 20767906

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

N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide (PubChem CID 20767906) has the molecular formula C24H20N4O2S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
• PubChem CID: 20767906
• Molecular Formula: C24H20N4O2S2
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.10
• IUPAC Name: N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
• SMILES: Cc1sc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NC1CC1
• InChI: InChI=1S/C24H20N4O2S2/c1-13-21(24(29)27-14-3-4-14)16-6-5-15(11-19(16)31-13)30-18-7-8-25-17-12-20(32-22(17)18)23-26-9-10-28(23)2/h5-12,14H,3-4H2,1-2H3,(H,27,29)
• InChIKey: LXFRAMKHCUAJHP-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?

The IUPAC name of N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide (CID 20767906) is N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?

The canonical SMILES for N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide is Cc1sc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NC1CC1.

What is the InChIKey of N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?

The InChIKey is LXFRAMKHCUAJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S2/c1-13-21(24(29)27-14-3-4-14)16-6-5-15(11-19(16)31-13)30-18-7-8-25-17-12-20(32-22(17)18)23-26-9-10-28(23)2/h5-12,14H,3-4H2,1-2H3,(H,27,29).

What are the key properties of N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?

N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 20767906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).