2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide

C24H28F2N6OS — CID 166052472

About 2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide

2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide (PubChem CID 166052472) has the molecular formula C24H28F2N6OS and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide
• PubChem CID: 166052472
• Molecular Formula: C24H28F2N6OS
• Molecular Weight: 486.59 g/mol
• Exact Mass: 486.20
• IUPAC Name: 2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide
• SMILES: Cc1cc(-c2[nH]c3sc(C4CCN(CC(N)=O)CC4)c(C(F)F)c3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C24H28F2N6OS/c1-12(2)17-18-19(22(25)26)21(14-4-6-31(7-5-14)10-16(27)33)34-24(18)30-20(17)15-8-13(3)23-28-11-29-32(23)9-15/h8-9,11-12,14,22,30H,4-7,10H2,1-3H3,(H2,27,33)
• InChIKey: FJTSKFHEIIPIEN-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 92.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.59
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide?

The IUPAC name of 2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide (CID 166052472) is 2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide.

What is the SMILES notation for 2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide?

The canonical SMILES for 2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide is Cc1cc(-c2[nH]c3sc(C4CCN(CC(N)=O)CC4)c(C(F)F)c3c2C(C)C)cn2ncnc12.

What is the InChIKey of 2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide?

The InChIKey is FJTSKFHEIIPIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6OS/c1-12(2)17-18-19(22(25)26)21(14-4-6-31(7-5-14)10-16(27)33)34-24(18)30-20(17)15-8-13(3)23-28-11-29-32(23)9-15/h8-9,11-12,14,22,30H,4-7,10H2,1-3H3,(H2,27,33).

What are the key properties of 2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide?

2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 486.59 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 166052472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).