[3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

C17H20F3N3OS — CID 99934587

IUPAC[3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)nc2sc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(N)c12
InChIInChI=1S/C17H20F3N3OS/c1-8-4-9(2)7-23(6-8)16(24)14-13(21)12-10(3)5-11(17(18,19)20)22-15(12)25-14/h5,8-9H,4,6-7,21H2,1-3H3/t8-,9-/m0/s1
InChIKeyVWXSLWIMEVKKNH-IUCAKERBSA-N
MW371.43 g/mol
LogP4.32
Rot. Bonds1

About [3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

[3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 99934587) has the molecular formula C17H20F3N3OS and a molecular weight of 371.43 g/mol. Its IUPAC name is [3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID99934587
Molecular FormulaC17H20F3N3OS
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC Name[3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)nc2sc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(N)c12
InChIInChI=1S/C17H20F3N3OS/c1-8-4-9(2)7-23(6-8)16(24)14-13(21)12-10(3)5-11(17(18,19)20)22-15(12)25-14/h5,8-9H,4,6-7,21H2,1-3H3/t8-,9-/m0/s1
InChIKeyVWXSLWIMEVKKNH-IUCAKERBSA-N
XLogP4.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of [3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (CID 99934587) is [3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for [3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is Cc1cc(C(F)(F)F)nc2sc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(N)c12.
What is the InChIKey of [3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is VWXSLWIMEVKKNH-IUCAKERBSA-N. The full InChI is InChI=1S/C17H20F3N3OS/c1-8-4-9(2)7-23(6-8)16(24)14-13(21)12-10(3)5-11(17(18,19)20)22-15(12)25-14/h5,8-9H,4,6-7,21H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of [3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
[3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 371.43 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 99934587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).