1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol

C17H18N4OS — CID 135103015

IUPAC1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
SMILESCc1nc(N2CCC(O)(c3cccnc3)CC2)c2ccsc2n1
InChIInChI=1S/C17H18N4OS/c1-12-19-15(14-4-10-23-16(14)20-12)21-8-5-17(22,6-9-21)13-3-2-7-18-11-13/h2-4,7,10-11,22H,5-6,8-9H2,1H3
InChIKeyIDFBMCCFTPIABQ-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.88
Rot. Bonds2

About 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol

1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 135103015) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
PubChem CID135103015
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
SMILESCc1nc(N2CCC(O)(c3cccnc3)CC2)c2ccsc2n1
InChIInChI=1S/C17H18N4OS/c1-12-19-15(14-4-10-23-16(14)20-12)21-8-5-17(22,6-9-21)13-3-2-7-18-11-13/h2-4,7,10-11,22H,5-6,8-9H2,1H3
InChIKeyIDFBMCCFTPIABQ-UHFFFAOYSA-N
XLogP2.88
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol 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-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol (CID 135103015) is 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol is Cc1nc(N2CCC(O)(c3cccnc3)CC2)c2ccsc2n1.
What is the InChIKey of 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is IDFBMCCFTPIABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-12-19-15(14-4-10-23-16(14)20-12)21-8-5-17(22,6-9-21)13-3-2-7-18-11-13/h2-4,7,10-11,22H,5-6,8-9H2,1H3.
What are the key properties of 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol?
1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 326.43 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 135103015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).