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

C23H29N5O3 — CID 151463165

IUPAC6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one
SMILESCOc1ncccc1-c1cnc([C@]2(CCCCCC(=O)c3ccon3)CCCCN2)[nH]1
InChIInChI=1S/C23H29N5O3/c1-30-21-17(8-7-13-24-21)19-16-25-22(27-19)23(12-5-6-14-26-23)11-4-2-3-9-20(29)18-10-15-31-28-18/h7-8,10,13,15-16,26H,2-6,9,11-12,14H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyPIXBSVFYAUXLJZ-QHCPKHFHSA-N
MW423.52 g/mol
LogP4.27
Rot. Bonds10

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

6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one (PubChem CID 151463165) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one.

Molecular Properties

Compound Name6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one
PubChem CID151463165
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one
SMILESCOc1ncccc1-c1cnc([C@]2(CCCCCC(=O)c3ccon3)CCCCN2)[nH]1
InChIInChI=1S/C23H29N5O3/c1-30-21-17(8-7-13-24-21)19-16-25-22(27-19)23(12-5-6-14-26-23)11-4-2-3-9-20(29)18-10-15-31-28-18/h7-8,10,13,15-16,26H,2-6,9,11-12,14H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyPIXBSVFYAUXLJZ-QHCPKHFHSA-N
XLogP4.27
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 166726409
(7S)-7-[6-cyclopropylidene-6-(1,2-oxazol-3-yl)hexyl]-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]azepan-2-one
CID 153399804
(7S)-7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
CID 146317146
7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
CID 153399950
1-(2-methoxy-3-pyridinyl)octan-1-one
CID 105086571
4-amino-1-(1,2-oxazol-3-yl)butan-1-one
CID 82416682
1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one
CID 166726399
3-(2-propylpyrrolidin-2-yl)pyridine
CID 66468075
methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate
CID 116882513
2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine
CID 104515792
2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 118224484

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one?
The IUPAC name of 6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one (CID 151463165) is 6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one.
What is the SMILES notation for 6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one?
The canonical SMILES for 6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one is COc1ncccc1-c1cnc([C@]2(CCCCCC(=O)c3ccon3)CCCCN2)[nH]1.
What is the InChIKey of 6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one?
The InChIKey is PIXBSVFYAUXLJZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-30-21-17(8-7-13-24-21)19-16-25-22(27-19)23(12-5-6-14-26-23)11-4-2-3-9-20(29)18-10-15-31-28-18/h7-8,10,13,15-16,26H,2-6,9,11-12,14H2,1H3,(H,25,27)/t23-/m0/s1.
What are the key properties of 6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one?
6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one has a molecular weight of 423.52 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]piperidin-2-yl]-1-(1,2-oxazol-3-yl)hexan-1-one is sourced from PubChem (CID 151463165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).