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

C26H32N6O4S — CID 123720596

IUPAC5-[[(5S)-2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2nc(N3CCC(Oc4ccc(C5=NCCO5)cc4)CC3)nc3c2[S@@](=O)CC3)CCC1=O
InChIInChI=1S/C26H32N6O4S/c1-31-16-18(4-7-22(31)33)28-24-23-21(10-15-37(23)34)29-26(30-24)32-12-8-20(9-13-32)36-19-5-2-17(3-6-19)25-27-11-14-35-25/h2-3,5-6,18,20H,4,7-16H2,1H3,(H,28,29,30)/t18?,37-/m0/s1
InChIKeyXVDOTMWKJLSSQL-BDBIDVPBSA-N
MW524.65 g/mol
LogP2.00
Rot. Bonds6

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

5-[[(5S)-2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (PubChem CID 123720596) has the molecular formula C26H32N6O4S and a molecular weight of 524.65 g/mol. Its IUPAC name is 5-[[(5S)-2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]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-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
PubChem CID123720596
Molecular FormulaC26H32N6O4S
Molecular Weight524.65 g/mol
Exact Mass524.22
IUPAC Name5-[[(5S)-2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2nc(N3CCC(Oc4ccc(C5=NCCO5)cc4)CC3)nc3c2[S@@](=O)CC3)CCC1=O
InChIInChI=1S/C26H32N6O4S/c1-31-16-18(4-7-22(31)33)28-24-23-21(10-15-37(23)34)29-26(30-24)32-12-8-20(9-13-32)36-19-5-2-17(3-6-19)25-27-11-14-35-25/h2-3,5-6,18,20H,4,7-16H2,1H3,(H,28,29,30)/t18?,37-/m0/s1
InChIKeyXVDOTMWKJLSSQL-BDBIDVPBSA-N
XLogP2.00
TPSA109.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.65
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[(5S)-2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]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-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]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-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (CID 123720596) is 5-[[(5S)-2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]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-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]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-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is CN1CC(Nc2nc(N3CCC(Oc4ccc(C5=NCCO5)cc4)CC3)nc3c2[S@@](=O)CC3)CCC1=O.
What is the InChIKey of 5-[[(5S)-2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
The InChIKey is XVDOTMWKJLSSQL-BDBIDVPBSA-N. The full InChI is InChI=1S/C26H32N6O4S/c1-31-16-18(4-7-22(31)33)28-24-23-21(10-15-37(23)34)29-26(30-24)32-12-8-20(9-13-32)36-19-5-2-17(3-6-19)25-27-11-14-35-25/h2-3,5-6,18,20H,4,7-16H2,1H3,(H,28,29,30)/t18?,37-/m0/s1.
What are the key properties of 5-[[(5S)-2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
5-[[(5S)-2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one has a molecular weight of 524.65 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5S)-2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 123720596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).