4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one

C20H24N4O2S — CID 118777448

IUPAC4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one
SMILESCCc1ccc(CN2CCc3c(C(=O)N4CCNC(=O)C4)csc3C2)nc1
InChIInChI=1S/C20H24N4O2S/c1-2-14-3-4-15(22-9-14)10-23-7-5-16-17(13-27-18(16)11-23)20(26)24-8-6-21-19(25)12-24/h3-4,9,13H,2,5-8,10-12H2,1H3,(H,21,25)
InChIKeyIMQURYQZEMGULS-UHFFFAOYSA-N
MW384.51 g/mol
LogP1.84
Rot. Bonds4

About 4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one

4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one (PubChem CID 118777448) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one
PubChem CID118777448
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one
SMILESCCc1ccc(CN2CCc3c(C(=O)N4CCNC(=O)C4)csc3C2)nc1
InChIInChI=1S/C20H24N4O2S/c1-2-14-3-4-15(22-9-14)10-23-7-5-16-17(13-27-18(16)11-23)20(26)24-8-6-21-19(25)12-24/h3-4,9,13H,2,5-8,10-12H2,1H3,(H,21,25)
InChIKeyIMQURYQZEMGULS-UHFFFAOYSA-N
XLogP1.84
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one (CID 118777448) is 4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one is CCc1ccc(CN2CCc3c(C(=O)N4CCNC(=O)C4)csc3C2)nc1.
What is the InChIKey of 4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one?
The InChIKey is IMQURYQZEMGULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-2-14-3-4-15(22-9-14)10-23-7-5-16-17(13-27-18(16)11-23)20(26)24-8-6-21-19(25)12-24/h3-4,9,13H,2,5-8,10-12H2,1H3,(H,21,25).
What are the key properties of 4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one?
4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 384.51 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 118777448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).