4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide

C27H23FN6O3 — CID 164615495

IUPAC4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Oc2ccncc2-c2cnn(C)c2)cc1
InChIInChI=1S/C27H23FN6O3/c1-3-36-25-17-34(21-8-4-19(28)5-9-21)32-26(25)27(35)31-20-6-10-22(11-7-20)37-24-12-13-29-15-23(24)18-14-30-33(2)16-18/h4-17H,3H2,1-2H3,(H,31,35)
InChIKeyHLIMXOHUENHTTJ-UHFFFAOYSA-N
MW498.52 g/mol
LogP5.25
Rot. Bonds8

About 4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide

4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide (PubChem CID 164615495) has the molecular formula C27H23FN6O3 and a molecular weight of 498.52 g/mol. Its IUPAC name is 4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide
PubChem CID164615495
Molecular FormulaC27H23FN6O3
Molecular Weight498.52 g/mol
Exact Mass498.18
IUPAC Name4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Oc2ccncc2-c2cnn(C)c2)cc1
InChIInChI=1S/C27H23FN6O3/c1-3-36-25-17-34(21-8-4-19(28)5-9-21)32-26(25)27(35)31-20-6-10-22(11-7-20)37-24-12-13-29-15-23(24)18-14-30-33(2)16-18/h4-17H,3H2,1-2H3,(H,31,35)
InChIKeyHLIMXOHUENHTTJ-UHFFFAOYSA-N
XLogP5.25
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

AS2444697
CID 52913874
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N-[1-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
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CID 44431899
6-(1-Methylpyrazol-4-yl)-3-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 145964002
6-(1-methylpyrazol-4-yl)-3-[(3S)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 145967970
4-bromo-1,5-diphenyl-N-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazole-3-carboxamide
CID 145976268
1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide
CID 164608884

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide (CID 164615495) is 4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide is CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Oc2ccncc2-c2cnn(C)c2)cc1.
What is the InChIKey of 4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide?
The InChIKey is HLIMXOHUENHTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O3/c1-3-36-25-17-34(21-8-4-19(28)5-9-21)32-26(25)27(35)31-20-6-10-22(11-7-20)37-24-12-13-29-15-23(24)18-14-30-33(2)16-18/h4-17H,3H2,1-2H3,(H,31,35).
What are the key properties of 4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide?
4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide has a molecular weight of 498.52 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 164615495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).