8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one

C26H25FN4O2 — CID 74395052

IUPAC8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one
SMILESCOc1cc(C=CC2=NC(=O)C3(c4ccc(F)cc4)CCCCN23)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H25FN4O2/c1-18-16-30(17-28-18)22-11-5-19(15-23(22)33-2)6-12-24-29-25(32)26(13-3-4-14-31(24)26)20-7-9-21(27)10-8-20/h5-12,15-17H,3-4,13-14H2,1-2H3
InChIKeyRRLUDPCGZZXBEK-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.66
Rot. Bonds5

About 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one

8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one (PubChem CID 74395052) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one
PubChem CID74395052
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one
SMILESCOc1cc(C=CC2=NC(=O)C3(c4ccc(F)cc4)CCCCN23)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H25FN4O2/c1-18-16-30(17-28-18)22-11-5-19(15-23(22)33-2)6-12-24-29-25(32)26(13-3-4-14-31(24)26)20-7-9-21(27)10-8-20/h5-12,15-17H,3-4,13-14H2,1-2H3
InChIKeyRRLUDPCGZZXBEK-UHFFFAOYSA-N
XLogP4.66
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one with MolForge

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Related Compounds

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(8'E)-6-fluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2,3-dihydrochromene-4,3'-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine]
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(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
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(6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one
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Frequently Asked Questions

What is the IUPAC name of 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one?
The IUPAC name of 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one (CID 74395052) is 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one?
The canonical SMILES for 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one is COc1cc(C=CC2=NC(=O)C3(c4ccc(F)cc4)CCCCN23)ccc1-n1cnc(C)c1.
What is the InChIKey of 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one?
The InChIKey is RRLUDPCGZZXBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-18-16-30(17-28-18)22-11-5-19(15-23(22)33-2)6-12-24-29-25(32)26(13-3-4-14-31(24)26)20-7-9-21(27)10-8-20/h5-12,15-17H,3-4,13-14H2,1-2H3.
What are the key properties of 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one?
8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one has a molecular weight of 444.51 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 74395052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).