N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C27H26F2N4O4 — CID 118116874

IUPACN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cn2nc(C)cc2C)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C27H26F2N4O4/c1-5-36-25-13-27(35)32(4)14-21(25)20-12-19(30-26(34)15-33-17(3)10-16(2)31-33)7-9-23(20)37-24-8-6-18(28)11-22(24)29/h6-14H,5,15H2,1-4H3,(H,30,34)
InChIKeyJSUSOOMWINJFNY-UHFFFAOYSA-N
MW508.53 g/mol
LogP4.97
Rot. Bonds8

About N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 118116874) has the molecular formula C27H26F2N4O4 and a molecular weight of 508.53 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID118116874
Molecular FormulaC27H26F2N4O4
Molecular Weight508.53 g/mol
Exact Mass508.19
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cn2nc(C)cc2C)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C27H26F2N4O4/c1-5-36-25-13-27(35)32(4)14-21(25)20-12-19(30-26(34)15-33-17(3)10-16(2)31-33)7-9-23(20)37-24-8-6-18(28)11-22(24)29/h6-14H,5,15H2,1-4H3,(H,30,34)
InChIKeyJSUSOOMWINJFNY-UHFFFAOYSA-N
XLogP4.97
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.53
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)urea
CID 45486658
1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 45486665
1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486672
1-(4-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486713
1-(3,5-difluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486727
1-(4-(2-(diethylamino)ethoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)-3-(4-fluorophenyl)urea
CID 45486732
Cfm-1571
CID 9844347
1-(2-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 11517754
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
1-(2,4-difluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486711

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 118116874) is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cn2nc(C)cc2C)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is JSUSOOMWINJFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O4/c1-5-36-25-13-27(35)32(4)14-21(25)20-12-19(30-26(34)15-33-17(3)10-16(2)31-33)7-9-23(20)37-24-8-6-18(28)11-22(24)29/h6-14H,5,15H2,1-4H3,(H,30,34).
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 508.53 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 118116874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).