5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one

C23H28FN5O3S — CID 75251928

IUPAC5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2nc(N3CCC(Oc4ccc(F)cc4)CC3)nc3c2S(=O)CC3)CCC1=O
InChIInChI=1S/C23H28FN5O3S/c1-28-14-16(4-7-20(28)30)25-22-21-19(10-13-33(21)31)26-23(27-22)29-11-8-18(9-12-29)32-17-5-2-15(24)3-6-17/h2-3,5-6,16,18H,4,7-14H2,1H3,(H,25,26,27)
InChIKeyBSQLFUNFFVAMKP-UHFFFAOYSA-N
MW473.57 g/mol
LogP2.36
Rot. Bonds5

About 5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one

5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (PubChem CID 75251928) has the molecular formula C23H28FN5O3S and a molecular weight of 473.57 g/mol. Its IUPAC name is 5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
PubChem CID75251928
Molecular FormulaC23H28FN5O3S
Molecular Weight473.57 g/mol
Exact Mass473.19
IUPAC Name5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2nc(N3CCC(Oc4ccc(F)cc4)CC3)nc3c2S(=O)CC3)CCC1=O
InChIInChI=1S/C23H28FN5O3S/c1-28-14-16(4-7-20(28)30)25-22-21-19(10-13-33(21)31)26-23(27-22)29-11-8-18(9-12-29)32-17-5-2-15(24)3-6-17/h2-3,5-6,16,18H,4,7-14H2,1H3,(H,25,26,27)
InChIKeyBSQLFUNFFVAMKP-UHFFFAOYSA-N
XLogP2.36
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-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 5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (CID 75251928) is 5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is CN1CC(Nc2nc(N3CCC(Oc4ccc(F)cc4)CC3)nc3c2S(=O)CC3)CCC1=O.
What is the InChIKey of 5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
The InChIKey is BSQLFUNFFVAMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3S/c1-28-14-16(4-7-20(28)30)25-22-21-19(10-13-33(21)31)26-23(27-22)29-11-8-18(9-12-29)32-17-5-2-15(24)3-6-17/h2-3,5-6,16,18H,4,7-14H2,1H3,(H,25,26,27).
What are the key properties of 5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one has a molecular weight of 473.57 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 75251928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).