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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Related Compounds

1-(4-Ethoxyphenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884919
US10364238, Example 52
CID 121365123
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 71087429
1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442212
4-[(4-methoxyphenyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one
CID 86271143
5-(4-methoxybenzyl)-4-oxo-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 1474584
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methylpiperidin-4-amine
CID 16187227
(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-acrylamide
CID 16546564
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 24791075
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 24791652
1-(4-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819389
(E)-N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylamide
CID 24979204

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).