N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide

C21H21N5O3S — CID 11993152

About N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide

N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide (PubChem CID 11993152) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide
• PubChem CID: 11993152
• Molecular Formula: C21H21N5O3S
• Molecular Weight: 423.50 g/mol
• Exact Mass: 423.14
• IUPAC Name: N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide
• SMILES: N#Cc1c(NC(=O)CCc2ccco2)sc2c1CCN(C(=O)CCn1ccnc1)C2
• InChI: InChI=1S/C21H21N5O3S/c22-12-17-16-5-9-26(20(28)6-8-25-10-7-23-14-25)13-18(16)30-21(17)24-19(27)4-3-15-2-1-11-29-15/h1-2,7,10-11,14H,3-6,8-9,13H2,(H,24,27)
• InChIKey: YRPLFJYIEHHVTG-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 104.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.50
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide?

The IUPAC name of N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide (CID 11993152) is N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide.

What is the SMILES notation for N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide?

The canonical SMILES for N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide is N#Cc1c(NC(=O)CCc2ccco2)sc2c1CCN(C(=O)CCn1ccnc1)C2.

What is the InChIKey of N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide?

The InChIKey is YRPLFJYIEHHVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c22-12-17-16-5-9-26(20(28)6-8-25-10-7-23-14-25)13-18(16)30-21(17)24-19(27)4-3-15-2-1-11-29-15/h1-2,7,10-11,14H,3-6,8-9,13H2,(H,24,27).

What are the key properties of N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide?

N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide has a molecular weight of 423.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyano-6-(3-imidazol-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 11993152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).