5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

C22H23F3N4O2S — CID 146453055

IUPAC5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCCc1cccc(OC2CCN(c3cc(C(F)(F)F)c4scc(C(=O)NC)c4n3)CC2)n1
InChIInChI=1S/C22H23F3N4O2S/c1-3-13-5-4-6-18(27-13)31-14-7-9-29(10-8-14)17-11-16(22(23,24)25)20-19(28-17)15(12-32-20)21(30)26-2/h4-6,11-12,14H,3,7-10H2,1-2H3,(H,26,30)
InChIKeyVCPHLKVKKMPALS-UHFFFAOYSA-N
MW464.51 g/mol
LogP4.68
Rot. Bonds5

About 5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 146453055) has the molecular formula C22H23F3N4O2S and a molecular weight of 464.51 g/mol. Its IUPAC name is 5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
PubChem CID146453055
Molecular FormulaC22H23F3N4O2S
Molecular Weight464.51 g/mol
Exact Mass464.15
IUPAC Name5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCCc1cccc(OC2CCN(c3cc(C(F)(F)F)c4scc(C(=O)NC)c4n3)CC2)n1
InChIInChI=1S/C22H23F3N4O2S/c1-3-13-5-4-6-18(27-13)31-14-7-9-29(10-8-14)17-11-16(22(23,24)25)20-19(28-17)15(12-32-20)21(30)26-2/h4-6,11-12,14H,3,7-10H2,1-2H3,(H,26,30)
InChIKeyVCPHLKVKKMPALS-UHFFFAOYSA-N
XLogP4.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (CID 146453055) is 5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is CCc1cccc(OC2CCN(c3cc(C(F)(F)F)c4scc(C(=O)NC)c4n3)CC2)n1.
What is the InChIKey of 5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is VCPHLKVKKMPALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2S/c1-3-13-5-4-6-18(27-13)31-14-7-9-29(10-8-14)17-11-16(22(23,24)25)20-19(28-17)15(12-32-20)21(30)26-2/h4-6,11-12,14H,3,7-10H2,1-2H3,(H,26,30).
What are the key properties of 5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 464.51 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(6-ethyl-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 146453055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).