3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C20H24F3N7O2S — CID 21064684

About 3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 21064684) has the molecular formula C20H24F3N7O2S and a molecular weight of 483.52 g/mol. Its IUPAC name is 3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 21064684
• Molecular Formula: C20H24F3N7O2S
• Molecular Weight: 483.52 g/mol
• Exact Mass: 483.17
• IUPAC Name: 3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cn1ccnc1C(O)CNC1CCN(c2cc(C(F)(F)F)c3c(N)c(C(N)=O)sc3n2)CC1
• InChI: InChI=1S/C20H24F3N7O2S/c1-29-7-4-26-18(29)12(31)9-27-10-2-5-30(6-3-10)13-8-11(20(21,22)23)14-15(24)16(17(25)32)33-19(14)28-13/h4,7-8,10,12,27,31H,2-3,5-6,9,24H2,1H3,(H2,25,32)
• InChIKey: HSAILGZMBDLHHN-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 135.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.52
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 21064684) is 3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cn1ccnc1C(O)CNC1CCN(c2cc(C(F)(F)F)c3c(N)c(C(N)=O)sc3n2)CC1.

What is the InChIKey of 3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is HSAILGZMBDLHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7O2S/c1-29-7-4-26-18(29)12(31)9-27-10-2-5-30(6-3-10)13-8-11(20(21,22)23)14-15(24)16(17(25)32)33-19(14)28-13/h4,7-8,10,12,27,31H,2-3,5-6,9,24H2,1H3,(H2,25,32).

What are the key properties of 3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 2.02, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[4-[[2-hydroxy-2-(1-methylimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 21064684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).