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

C27H27FN4O3 — CID 25143480

IUPAC8a-(4-fluorophenyl)-5-(hydroxymethyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one
SMILESCOc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CCCC(CO)N23)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H27FN4O3/c1-18-15-31(17-29-18)23-11-5-19(14-24(23)35-2)6-12-25-30-26(34)27(20-7-9-21(28)10-8-20)13-3-4-22(16-33)32(25)27/h5-12,14-15,17,22,33H,3-4,13,16H2,1-2H3/b12-6+
InChIKeyBVMQTDGCMLMBBR-WUXMJOGZSA-N
MW474.54 g/mol
LogP4.02
Rot. Bonds6

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

8a-(4-fluorophenyl)-5-(hydroxymethyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one (PubChem CID 25143480) has the molecular formula C27H27FN4O3 and a molecular weight of 474.54 g/mol. Its IUPAC name is 8a-(4-fluorophenyl)-5-(hydroxymethyl)-3-[(E)-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)-5-(hydroxymethyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one
PubChem CID25143480
Molecular FormulaC27H27FN4O3
Molecular Weight474.54 g/mol
Exact Mass474.21
IUPAC Name8a-(4-fluorophenyl)-5-(hydroxymethyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one
SMILESCOc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CCCC(CO)N23)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H27FN4O3/c1-18-15-31(17-29-18)23-11-5-19(14-24(23)35-2)6-12-25-30-26(34)27(20-7-9-21(28)10-8-20)13-3-4-22(16-33)32(25)27/h5-12,14-15,17,22,33H,3-4,13,16H2,1-2H3/b12-6+
InChIKeyBVMQTDGCMLMBBR-WUXMJOGZSA-N
XLogP4.02
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8a-(4-fluorophenyl)-5-(hydroxymethyl)-3-[(E)-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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Frequently Asked Questions

What is the IUPAC name of 8a-(4-fluorophenyl)-5-(hydroxymethyl)-3-[(E)-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)-5-(hydroxymethyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one (CID 25143480) is 8a-(4-fluorophenyl)-5-(hydroxymethyl)-3-[(E)-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)-5-(hydroxymethyl)-3-[(E)-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)-5-(hydroxymethyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one is COc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CCCC(CO)N23)ccc1-n1cnc(C)c1.
What is the InChIKey of 8a-(4-fluorophenyl)-5-(hydroxymethyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one?
The InChIKey is BVMQTDGCMLMBBR-WUXMJOGZSA-N. The full InChI is InChI=1S/C27H27FN4O3/c1-18-15-31(17-29-18)23-11-5-19(14-24(23)35-2)6-12-25-30-26(34)27(20-7-9-21(28)10-8-20)13-3-4-22(16-33)32(25)27/h5-12,14-15,17,22,33H,3-4,13,16H2,1-2H3/b12-6+.
What are the key properties of 8a-(4-fluorophenyl)-5-(hydroxymethyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one?
8a-(4-fluorophenyl)-5-(hydroxymethyl)-3-[(E)-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 474.54 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(4-fluorophenyl)-5-(hydroxymethyl)-3-[(E)-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 25143480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).