1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one

C23H21FN4O2 — CID 25226851

IUPAC1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
SMILESCOc1cc(Nc2cccn(Cc3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H21FN4O2/c1-16-13-28(15-25-16)21-10-9-19(12-22(21)30-2)26-20-4-3-11-27(23(20)29)14-17-5-7-18(24)8-6-17/h3-13,15,26H,14H2,1-2H3
InChIKeyGCIBZKILAXKLDP-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.28
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one

1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one (PubChem CID 25226851) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
PubChem CID25226851
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
SMILESCOc1cc(Nc2cccn(Cc3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H21FN4O2/c1-16-13-28(15-25-16)21-10-9-19(12-22(21)30-2)26-20-4-3-11-27(23(20)29)14-17-5-7-18(24)8-6-17/h3-13,15,26H,14H2,1-2H3
InChIKeyGCIBZKILAXKLDP-UHFFFAOYSA-N
XLogP4.28
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one (CID 25226851) is 1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one is COc1cc(Nc2cccn(Cc3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one?
The InChIKey is GCIBZKILAXKLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-16-13-28(15-25-16)21-10-9-19(12-22(21)30-2)26-20-4-3-11-27(23(20)29)14-17-5-7-18(24)8-6-17/h3-13,15,26H,14H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one?
1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one has a molecular weight of 404.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one is sourced from PubChem (CID 25226851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).