N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

C24H26N4O2S — CID 17434814

About N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 17434814) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
• PubChem CID: 17434814
• Molecular Formula: C24H26N4O2S
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.18
• IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
• SMILES: Cc1c(C#N)c(NC(=O)CN2CCc3sccc3C2C2CC2)n(Cc2ccco2)c1C
• InChI: InChI=1S/C24H26N4O2S/c1-15-16(2)28(13-18-4-3-10-30-18)24(20(15)12-25)26-22(29)14-27-9-7-21-19(8-11-31-21)23(27)17-5-6-17/h3-4,8,10-11,17,23H,5-7,9,13-14H2,1-2H3,(H,26,29)
• InChIKey: XBQNTXWMAAJBIJ-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 74.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (CID 17434814) is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.

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

The canonical SMILES for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is Cc1c(C#N)c(NC(=O)CN2CCc3sccc3C2C2CC2)n(Cc2ccco2)c1C.

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

The InChIKey is XBQNTXWMAAJBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-15-16(2)28(13-18-4-3-10-30-18)24(20(15)12-25)26-22(29)14-27-9-7-21-19(8-11-31-21)23(27)17-5-6-17/h3-4,8,10-11,17,23H,5-7,9,13-14H2,1-2H3,(H,26,29).

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

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 434.57 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 17434814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).