2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C22H26N4O5S — CID 11698262

About 2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 11698262) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: 2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
• PubChem CID: 11698262
• Molecular Formula: C22H26N4O5S
• Molecular Weight: 458.54 g/mol
• Exact Mass: 458.16
• IUPAC Name: 2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
• SMILES: N#Cc1c(NC(=O)CCc2ccco2)sc2c1CCN(C(=O)OCCN1CCOCC1)C2
• InChI: InChI=1S/C22H26N4O5S/c23-14-18-17-5-6-26(22(28)31-13-9-25-7-11-29-12-8-25)15-19(17)32-21(18)24-20(27)4-3-16-2-1-10-30-16/h1-2,10H,3-9,11-13,15H2,(H,24,27)
• InChIKey: ZQCUJPIHLAFZIO-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 108.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.54
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?

The IUPAC name of 2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 11698262) is 2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

What is the SMILES notation for 2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?

The canonical SMILES for 2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is N#Cc1c(NC(=O)CCc2ccco2)sc2c1CCN(C(=O)OCCN1CCOCC1)C2.

What is the InChIKey of 2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?

The InChIKey is ZQCUJPIHLAFZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c23-14-18-17-5-6-26(22(28)31-13-9-25-7-11-29-12-8-25)15-19(17)32-21(18)24-20(27)4-3-16-2-1-10-30-16/h1-2,10H,3-9,11-13,15H2,(H,24,27).

What are the key properties of 2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?

2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 458.54 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-morpholin-4-ylethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 11698262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).