N-[3-cyano-6-[2-(2,4-dimethylimidazol-1-yl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide

C25H27N5O3S — CID 11990442

About N-[3-cyano-6-[2-(2,4-dimethylimidazol-1-yl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide

N-[3-cyano-6-[2-(2,4-dimethylimidazol-1-yl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide (PubChem CID 11990442) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[3-cyano-6-[2-(2,4-dimethylimidazol-1-yl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: N-[3-cyano-6-[2-(2,4-dimethylimidazol-1-yl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide
• PubChem CID: 11990442
• Molecular Formula: C25H27N5O3S
• Molecular Weight: 477.59 g/mol
• Exact Mass: 477.18
• IUPAC Name: N-[3-cyano-6-[2-(2,4-dimethylimidazol-1-yl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide
• SMILES: COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)Cn2cc(C)nc2C)C3)c1
• InChI: InChI=1S/C25H27N5O3S/c1-16-13-30(17(2)27-16)15-24(32)29-10-9-20-21(12-26)25(34-22(20)14-29)28-23(31)8-7-18-5-4-6-19(11-18)33-3/h4-6,11,13H,7-10,14-15H2,1-3H3,(H,28,31)
• InChIKey: OJDMGYRHCCNXHD-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 100.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.59
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-cyano-6-[2-(2,4-dimethylimidazol-1-yl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide (CID 11990442) is N-[3-cyano-6-[2-(2,4-dimethylimidazol-1-yl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide.

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

The canonical SMILES for N-[3-cyano-6-[2-(2,4-dimethylimidazol-1-yl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)Cn2cc(C)nc2C)C3)c1.

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

The InChIKey is OJDMGYRHCCNXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-16-13-30(17(2)27-16)15-24(32)29-10-9-20-21(12-26)25(34-22(20)14-29)28-23(31)8-7-18-5-4-6-19(11-18)33-3/h4-6,11,13H,7-10,14-15H2,1-3H3,(H,28,31).

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

N-[3-cyano-6-[2-(2,4-dimethylimidazol-1-yl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide has a molecular weight of 477.59 g/mol, XLogP of 3.60, 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-[2-(2,4-dimethylimidazol-1-yl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 11990442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).