1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone

C20H23F3N4OS — CID 171994650

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone
SMILESCc1nc(N2CCC(CC(=O)N3CCc4sccc4C3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C20H23F3N4OS/c1-13-24-17(20(21,22)23)11-18(25-13)26-6-2-14(3-7-26)10-19(28)27-8-4-16-15(12-27)5-9-29-16/h5,9,11,14H,2-4,6-8,10,12H2,1H3
InChIKeyLCKHARZFNPQGJY-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.06
Rot. Bonds3

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone (PubChem CID 171994650) has the molecular formula C20H23F3N4OS and a molecular weight of 424.49 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone
PubChem CID171994650
Molecular FormulaC20H23F3N4OS
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone
SMILESCc1nc(N2CCC(CC(=O)N3CCc4sccc4C3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C20H23F3N4OS/c1-13-24-17(20(21,22)23)11-18(25-13)26-6-2-14(3-7-26)10-19(28)27-8-4-16-15(12-27)5-9-29-16/h5,9,11,14H,2-4,6-8,10,12H2,1H3
InChIKeyLCKHARZFNPQGJY-UHFFFAOYSA-N
XLogP4.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone (CID 171994650) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone is Cc1nc(N2CCC(CC(=O)N3CCc4sccc4C3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone?
The InChIKey is LCKHARZFNPQGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4OS/c1-13-24-17(20(21,22)23)11-18(25-13)26-6-2-14(3-7-26)10-19(28)27-8-4-16-15(12-27)5-9-29-16/h5,9,11,14H,2-4,6-8,10,12H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone has a molecular weight of 424.49 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone is sourced from PubChem (CID 171994650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).