1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one

C24H23FN4O3 — CID 129093387

IUPAC1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCOc1ccc(CNc2cc(=O)n(-c3ccc(OCF)cc3)cc2-c2cnn(C)c2)cc1
InChIInChI=1S/C24H23FN4O3/c1-28-14-18(13-27-28)22-15-29(19-5-9-21(10-6-19)32-16-25)24(30)11-23(22)26-12-17-3-7-20(31-2)8-4-17/h3-11,13-15,26H,12,16H2,1-2H3
InChIKeyYJYIHSOYMPYCCT-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.16
Rot. Bonds8

About 1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one

1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 129093387) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID129093387
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCOc1ccc(CNc2cc(=O)n(-c3ccc(OCF)cc3)cc2-c2cnn(C)c2)cc1
InChIInChI=1S/C24H23FN4O3/c1-28-14-18(13-27-28)22-15-29(19-5-9-21(10-6-19)32-16-25)24(30)11-23(22)26-12-17-3-7-20(31-2)8-4-17/h3-11,13-15,26H,12,16H2,1-2H3
InChIKeyYJYIHSOYMPYCCT-UHFFFAOYSA-N
XLogP4.16
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one (CID 129093387) is 1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one is COc1ccc(CNc2cc(=O)n(-c3ccc(OCF)cc3)cc2-c2cnn(C)c2)cc1.
What is the InChIKey of 1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is YJYIHSOYMPYCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-28-14-18(13-27-28)22-15-29(19-5-9-21(10-6-19)32-16-25)24(30)11-23(22)26-12-17-3-7-20(31-2)8-4-17/h3-11,13-15,26H,12,16H2,1-2H3.
What are the key properties of 1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one?
1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 434.47 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 129093387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).