(3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione

C22H24N4O5S — CID 149240574

IUPAC(3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
SMILESO=C1CC[C@H](N2Cc3c(csc3COc3ccc(CN4CCOCC4)cn3)C2=O)C(=O)N1
InChIInChI=1S/C22H24N4O5S/c27-19-3-2-17(21(28)24-19)26-11-15-16(22(26)29)13-32-18(15)12-31-20-4-1-14(9-23-20)10-25-5-7-30-8-6-25/h1,4,9,13,17H,2-3,5-8,10-12H2,(H,24,27,28)/t17-/m0/s1
InChIKeyXMCLEMFCCNLJBX-KRWDZBQOSA-N
MW456.52 g/mol
LogP1.32
Rot. Bonds6

About (3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione

(3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione (PubChem CID 149240574) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is (3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
PubChem CID149240574
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name(3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
SMILESO=C1CC[C@H](N2Cc3c(csc3COc3ccc(CN4CCOCC4)cn3)C2=O)C(=O)N1
InChIInChI=1S/C22H24N4O5S/c27-19-3-2-17(21(28)24-19)26-11-15-16(22(26)29)13-32-18(15)12-31-20-4-1-14(9-23-20)10-25-5-7-30-8-6-25/h1,4,9,13,17H,2-3,5-8,10-12H2,(H,24,27,28)/t17-/m0/s1
InChIKeyXMCLEMFCCNLJBX-KRWDZBQOSA-N
XLogP1.32
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione with MolForge

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Related Compounds

N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoacetamide
CID 155316244
(3R)-3-[4,5,6-trideuterio-7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140915014
CID 144674073
CID 144674073
3-[3-[(4-methylphenoxy)methyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 163269119
3-[3-oxo-7-[[2,3,6-trideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582876
3-[7-[[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582863
3-[7-[deuterio-[2,6-dideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582868
3-[5-fluoro-7-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169310809
3-[7-[deuterio-[2-deuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582857
1-deuterio-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582759
(3R)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159987516
3-[7-[dideuterio-[2,6-dideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582872

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione (CID 149240574) is (3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione is O=C1CC[C@H](N2Cc3c(csc3COc3ccc(CN4CCOCC4)cn3)C2=O)C(=O)N1.
What is the InChIKey of (3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?
The InChIKey is XMCLEMFCCNLJBX-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N4O5S/c27-19-3-2-17(21(28)24-19)26-11-15-16(22(26)29)13-32-18(15)12-31-20-4-1-14(9-23-20)10-25-5-7-30-8-6-25/h1,4,9,13,17H,2-3,5-8,10-12H2,(H,24,27,28)/t17-/m0/s1.
What are the key properties of (3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?
(3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione has a molecular weight of 456.52 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione is sourced from PubChem (CID 149240574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).