1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile

C24H20FN5O2 — CID 25226849

IUPAC1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile
SMILESCOc1cc(Nc2cc(C#N)cn(Cc3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H20FN5O2/c1-16-12-30(15-27-16)22-8-7-20(10-23(22)32-2)28-21-9-18(11-26)14-29(24(21)31)13-17-3-5-19(25)6-4-17/h3-10,12,14-15,28H,13H2,1-2H3
InChIKeyNOFNUDXLUYLHBS-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.15
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile

1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile (PubChem CID 25226849) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile
PubChem CID25226849
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile
SMILESCOc1cc(Nc2cc(C#N)cn(Cc3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H20FN5O2/c1-16-12-30(15-27-16)22-8-7-20(10-23(22)32-2)28-21-9-18(11-26)14-29(24(21)31)13-17-3-5-19(25)6-4-17/h3-10,12,14-15,28H,13H2,1-2H3
InChIKeyNOFNUDXLUYLHBS-UHFFFAOYSA-N
XLogP4.15
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile (CID 25226849) is 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile is COc1cc(Nc2cc(C#N)cn(Cc3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile?
The InChIKey is NOFNUDXLUYLHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-16-12-30(15-27-16)22-8-7-20(10-23(22)32-2)28-21-9-18(11-26)14-29(24(21)31)13-17-3-5-19(25)6-4-17/h3-10,12,14-15,28H,13H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile?
1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile has a molecular weight of 429.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 25226849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).