[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C22H24N4OS — CID 51286404

IUPAC[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1)N1CCCC1
InChIInChI=1S/C22H24N4OS/c27-22(26-10-4-5-11-26)17-8-12-25(13-9-17)20-18-14-19(16-6-2-1-3-7-16)28-21(18)24-15-23-20/h1-3,6-7,14-15,17H,4-5,8-13H2
InChIKeyYNLLXKJYDZDRAS-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.20
Rot. Bonds3

About [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 51286404) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID51286404
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1)N1CCCC1
InChIInChI=1S/C22H24N4OS/c27-22(26-10-4-5-11-26)17-8-12-25(13-9-17)20-18-14-19(16-6-2-1-3-7-16)28-21(18)24-15-23-20/h1-3,6-7,14-15,17H,4-5,8-13H2
InChIKeyYNLLXKJYDZDRAS-UHFFFAOYSA-N
XLogP4.20
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 51286404) is [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1)N1CCCC1.
What is the InChIKey of [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YNLLXKJYDZDRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-22(26-10-4-5-11-26)17-8-12-25(13-9-17)20-18-14-19(16-6-2-1-3-7-16)28-21(18)24-15-23-20/h1-3,6-7,14-15,17H,4-5,8-13H2.
What are the key properties of [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 392.53 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 51286404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).