(7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one

C19H22FN5O3 — CID 150667856

IUPAC(7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
SMILESCOc1cc(-c2cnc([C@@H](N)CCCCCC(=O)c3ncco3)[nH]2)c(F)cn1
InChIInChI=1S/C19H22FN5O3/c1-27-17-9-12(13(20)10-23-17)15-11-24-18(25-15)14(21)5-3-2-4-6-16(26)19-22-7-8-28-19/h7-11,14H,2-6,21H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeyJFGFQQBOZWVPJS-AWEZNQCLSA-N
MW387.42 g/mol
LogP3.44
Rot. Bonds10

About (7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one

(7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one (PubChem CID 150667856) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is (7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name(7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
PubChem CID150667856
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Name(7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
SMILESCOc1cc(-c2cnc([C@@H](N)CCCCCC(=O)c3ncco3)[nH]2)c(F)cn1
InChIInChI=1S/C19H22FN5O3/c1-27-17-9-12(13(20)10-23-17)15-11-24-18(25-15)14(21)5-3-2-4-6-16(26)19-22-7-8-28-19/h7-11,14H,2-6,21H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeyJFGFQQBOZWVPJS-AWEZNQCLSA-N
XLogP3.44
TPSA119.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.44
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

US12331044, Example 1
CID 146317609
US12331044, Example 8
CID 155924154
N-[4-[5-(furan-2-yl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 155527966
N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 155538694
2-(1,3-oxazol-2-ylmethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide
CID 155568927
(7S)-7-amino-1-[5-(hydroxymethyl)-1,3-oxazol-2-yl]-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]heptan-1-one
CID 156021459
US9656959, Example 35
CID 57405058
(E,6S)-N'-[1-[[4-[(2,4-difluorophenyl)methoxy]-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethyl-6-(1,3-oxazole-2-carbonylamino)hept-2-enediamide
CID 146348047
5-[(1S)-1-amino-7-oxazol-2-yl-7-oxo-heptyl]-2-(4-fluorophenyl)-1H-imidazole-4-carbonitrile
CID 146317376
US12331044, Example 178
CID 148580707
US12331044, Example 138
CID 148948089
US12331044, Example 141
CID 149343975

Frequently Asked Questions

What is the IUPAC name of (7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
The IUPAC name of (7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one (CID 150667856) is (7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one.
What is the SMILES notation for (7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
The canonical SMILES for (7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one is COc1cc(-c2cnc([C@@H](N)CCCCCC(=O)c3ncco3)[nH]2)c(F)cn1.
What is the InChIKey of (7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
The InChIKey is JFGFQQBOZWVPJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-27-17-9-12(13(20)10-23-17)15-11-24-18(25-15)14(21)5-3-2-4-6-16(26)19-22-7-8-28-19/h7-11,14H,2-6,21H2,1H3,(H,24,25)/t14-/m0/s1.
What are the key properties of (7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
(7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one has a molecular weight of 387.42 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one is sourced from PubChem (CID 150667856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).