1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one

C22H18N4OS — CID 149311701

IUPAC1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one
SMILESO=C1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1
InChIInChI=1S/C22H18N4OS/c27-16-9-6-12-26(13-16)21-19-17(15-7-2-1-3-8-15)14-28-22(19)25-20(24-21)18-10-4-5-11-23-18/h1-5,7-8,10-11,14H,6,9,12-13H2
InChIKeyXYSQECBPVGJDJJ-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.59
Rot. Bonds3

About 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one

1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one (PubChem CID 149311701) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one.

Molecular Properties

Compound Name1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one
PubChem CID149311701
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one
SMILESO=C1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1
InChIInChI=1S/C22H18N4OS/c27-16-9-6-12-26(13-16)21-19-17(15-7-2-1-3-8-15)14-28-22(19)25-20(24-21)18-10-4-5-11-23-18/h1-5,7-8,10-11,14H,6,9,12-13H2
InChIKeyXYSQECBPVGJDJJ-UHFFFAOYSA-N
XLogP4.59
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9311493
1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4788941
4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9196216
2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 30807164
2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146396079
7-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one
CID 56803860
4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 159518607
(3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 51957204
N-[2-[6-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]cyclopropyl]-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 129298958
4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 9113727
4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2575882
4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 129255881

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one?
The IUPAC name of 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one (CID 149311701) is 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one.
What is the SMILES notation for 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one?
The canonical SMILES for 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one is O=C1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1.
What is the InChIKey of 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one?
The InChIKey is XYSQECBPVGJDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c27-16-9-6-12-26(13-16)21-19-17(15-7-2-1-3-8-15)14-28-22(19)25-20(24-21)18-10-4-5-11-23-18/h1-5,7-8,10-11,14H,6,9,12-13H2.
What are the key properties of 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one?
1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one has a molecular weight of 386.48 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one is sourced from PubChem (CID 149311701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).