(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone

C23H27N5OS — CID 4093269

IUPAC(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncnc(N3CCCCC3)c12
InChIInChI=1S/C23H27N5OS/c1-17-19-21(27-10-6-3-7-11-27)24-16-25-22(19)30-20(17)23(29)28-14-12-26(13-15-28)18-8-4-2-5-9-18/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3
InChIKeySTLUVLYNZDINEH-UHFFFAOYSA-N
MW421.57 g/mol
LogP3.95
Rot. Bonds3

About (5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone

(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 4093269) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is (5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID4093269
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC Name(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncnc(N3CCCCC3)c12
InChIInChI=1S/C23H27N5OS/c1-17-19-21(27-10-6-3-7-11-27)24-16-25-22(19)30-20(17)23(29)28-14-12-26(13-15-28)18-8-4-2-5-9-18/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3
InChIKeySTLUVLYNZDINEH-UHFFFAOYSA-N
XLogP3.95
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone 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 (5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone (CID 4093269) is (5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncnc(N3CCCCC3)c12.
What is the InChIKey of (5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is STLUVLYNZDINEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-17-19-21(27-10-6-3-7-11-27)24-16-25-22(19)30-20(17)23(29)28-14-12-26(13-15-28)18-8-4-2-5-9-18/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3.
What are the key properties of (5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 421.57 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 4093269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).