N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C21H11ClF6N6O2 — CID 166545400

IUPACN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNc1nccc(Oc2ccc(NC(=O)c3cnn(-c4ncc(F)cc4F)c3C(F)(F)F)cc2F)c1Cl
InChIInChI=1S/C21H11ClF6N6O2/c22-16-15(3-4-30-18(16)29)36-14-2-1-10(6-12(14)24)33-20(35)11-8-32-34(17(11)21(26,27)28)19-13(25)5-9(23)7-31-19/h1-8H,(H2,29,30)(H,33,35)
InChIKeyUVNWASXHRUJUDI-UHFFFAOYSA-N
MW528.80 g/mol
LogP5.38
Rot. Bonds5

About N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 166545400) has the molecular formula C21H11ClF6N6O2 and a molecular weight of 528.80 g/mol. Its IUPAC name is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID166545400
Molecular FormulaC21H11ClF6N6O2
Molecular Weight528.80 g/mol
Exact Mass528.05
IUPAC NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNc1nccc(Oc2ccc(NC(=O)c3cnn(-c4ncc(F)cc4F)c3C(F)(F)F)cc2F)c1Cl
InChIInChI=1S/C21H11ClF6N6O2/c22-16-15(3-4-30-18(16)29)36-14-2-1-10(6-12(14)24)33-20(35)11-8-32-34(17(11)21(26,27)28)19-13(25)5-9(23)7-31-19/h1-8H,(H2,29,30)(H,33,35)
InChIKeyUVNWASXHRUJUDI-UHFFFAOYSA-N
XLogP5.38
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.80
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545418
N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545376
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167268113
N-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171816345
N-[4-[(2-amino-3-ethynyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-(3-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171816388
N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171816355
N-[4-[5-chloro-6-(cyclopropylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545393
N-[4-[(2-amino-3-cyano-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171816410
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide
CID 155538576
N-[4-[[2-amino-3-(3-hydroxybut-1-ynyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]-1-(3-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171816387
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122179289
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-3H-pyridine-5-carboxamide
CID 68735331

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 166545400) is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Nc1nccc(Oc2ccc(NC(=O)c3cnn(-c4ncc(F)cc4F)c3C(F)(F)F)cc2F)c1Cl.
What is the InChIKey of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is UVNWASXHRUJUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClF6N6O2/c22-16-15(3-4-30-18(16)29)36-14-2-1-10(6-12(14)24)33-20(35)11-8-32-34(17(11)21(26,27)28)19-13(25)5-9(23)7-31-19/h1-8H,(H2,29,30)(H,33,35).
What are the key properties of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 528.80 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166545400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).