6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide

C28H28N4O4S — CID 11489216

About 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide

6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide (PubChem CID 11489216) has the molecular formula C28H28N4O4S and a molecular weight of 516.62 g/mol. Its IUPAC name is 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
• PubChem CID: 11489216
• Molecular Formula: C28H28N4O4S
• Molecular Weight: 516.62 g/mol
• Exact Mass: 516.18
• IUPAC Name: 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
• SMILES: O=C(NCCN1CCOCC1)c1cccc2cc(Oc3ccnc4cc(C(=O)N5CCC5)sc34)ccc12
• InChI: InChI=1S/C28H28N4O4S/c33-27(30-9-12-31-13-15-35-16-14-31)22-4-1-3-19-17-20(5-6-21(19)22)36-24-7-8-29-23-18-25(37-26(23)24)28(34)32-10-2-11-32/h1,3-8,17-18H,2,9-16H2,(H,30,33)
• InChIKey: ZAEVLRVPROXYTL-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.62
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide?

The IUPAC name of 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide (CID 11489216) is 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide.

What is the SMILES notation for 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide?

The canonical SMILES for 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide is O=C(NCCN1CCOCC1)c1cccc2cc(Oc3ccnc4cc(C(=O)N5CCC5)sc34)ccc12.

What is the InChIKey of 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide?

The InChIKey is ZAEVLRVPROXYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4S/c33-27(30-9-12-31-13-15-35-16-14-31)22-4-1-3-19-17-20(5-6-21(19)22)36-24-7-8-29-23-18-25(37-26(23)24)28(34)32-10-2-11-32/h1,3-8,17-18H,2,9-16H2,(H,30,33).

What are the key properties of 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide?

6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide has a molecular weight of 516.62 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 11489216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).