5-[[(5S)-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 123789715

IUPAC5-[[(5S)-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)nc3c2[S@@](=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)/t16?,33-/m0/s1
InChIKeyBSQLFUNFFVAMKP-JXKSAOSKSA-N
MW473.57 g/mol
LogP2.36
Rot. Bonds5

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

5-[[(5S)-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 123789715) has the molecular formula C23H28FN5O3S and a molecular weight of 473.57 g/mol. Its IUPAC name is 5-[[(5S)-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-[[(5S)-2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
PubChem CID123789715
Molecular FormulaC23H28FN5O3S
Molecular Weight473.57 g/mol
Exact Mass473.19
IUPAC Name5-[[(5S)-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)nc3c2[S@@](=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)/t16?,33-/m0/s1
InChIKeyBSQLFUNFFVAMKP-JXKSAOSKSA-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-[[(5S)-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

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5S)-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-[[(5S)-2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (CID 123789715) is 5-[[(5S)-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-[[(5S)-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-[[(5S)-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)nc3c2[S@@](=O)CC3)CCC1=O.
What is the InChIKey of 5-[[(5S)-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-JXKSAOSKSA-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)/t16?,33-/m0/s1.
What are the key properties of 5-[[(5S)-2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
5-[[(5S)-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-[[(5S)-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 123789715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).