7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C18H18N4O2S — CID 137223310

IUPAC7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC1CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1
InChIInChI=1S/C18H18N4O2S/c1-11-5-8-22(9-6-11)18(24)12-10-25-15-14(12)20-16(21-17(15)23)13-4-2-3-7-19-13/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,20,21,23)
InChIKeyOFPISFOWTXSUJX-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.92
Rot. Bonds2

About 7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137223310) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137223310
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC1CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1
InChIInChI=1S/C18H18N4O2S/c1-11-5-8-22(9-6-11)18(24)12-10-25-15-14(12)20-16(21-17(15)23)13-4-2-3-7-19-13/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,20,21,23)
InChIKeyOFPISFOWTXSUJX-UHFFFAOYSA-N
XLogP2.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one 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 7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137223310) is 7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC1CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.
What is the InChIKey of 7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is OFPISFOWTXSUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-5-8-22(9-6-11)18(24)12-10-25-15-14(12)20-16(21-17(15)23)13-4-2-3-7-19-13/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,20,21,23).
What are the key properties of 7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 354.44 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137223310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).