6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one

C23H25N5O4 — CID 146317269

IUPAC6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one
SMILESCOc1ncccc1-c1cnc(C2(CC=CCCC(=O)c3ccon3)CCCC(=O)N2)[nH]1
InChIInChI=1S/C23H25N5O4/c1-31-21-16(7-6-13-24-21)18-15-25-22(26-18)23(12-5-9-20(30)27-23)11-4-2-3-8-19(29)17-10-14-32-28-17/h2,4,6-7,10,13-15H,3,5,8-9,11-12H2,1H3,(H,25,26)(H,27,30)
InChIKeyJTUFZUSFOPJQMS-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.57
Rot. Bonds9

About 6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one

6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one (PubChem CID 146317269) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one.

Molecular Properties

Compound Name6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one
PubChem CID146317269
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one
SMILESCOc1ncccc1-c1cnc(C2(CC=CCCC(=O)c3ccon3)CCCC(=O)N2)[nH]1
InChIInChI=1S/C23H25N5O4/c1-31-21-16(7-6-13-24-21)18-15-25-22(26-18)23(12-5-9-20(30)27-23)11-4-2-3-8-19(29)17-10-14-32-28-17/h2,4,6-7,10,13-15H,3,5,8-9,11-12H2,1H3,(H,25,26)(H,27,30)
InChIKeyJTUFZUSFOPJQMS-UHFFFAOYSA-N
XLogP3.57
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one?
The IUPAC name of 6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one (CID 146317269) is 6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one.
What is the SMILES notation for 6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one?
The canonical SMILES for 6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one is COc1ncccc1-c1cnc(C2(CC=CCCC(=O)c3ccon3)CCCC(=O)N2)[nH]1.
What is the InChIKey of 6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one?
The InChIKey is JTUFZUSFOPJQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-31-21-16(7-6-13-24-21)18-15-25-22(26-18)23(12-5-9-20(30)27-23)11-4-2-3-8-19(29)17-10-14-32-28-17/h2,4,6-7,10,13-15H,3,5,8-9,11-12H2,1H3,(H,25,26)(H,27,30).
What are the key properties of 6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one?
6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one has a molecular weight of 435.48 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one is sourced from PubChem (CID 146317269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).