N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C24H17F5N6O2 — CID 171816355

IUPACN-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNc1nccc(Oc2c(F)cc(NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)cc2F)c1C1CC1
InChIInChI=1S/C24H17F5N6O2/c25-15-9-13(10-16(26)20(15)37-17-6-8-32-22(30)19(17)12-4-5-12)34-23(36)14-11-33-35(21(14)24(27,28)29)18-3-1-2-7-31-18/h1-3,6-12H,4-5H2,(H2,30,32)(H,34,36)
InChIKeyLKOGZYSUDHAZKS-UHFFFAOYSA-N
MW516.43 g/mol
LogP5.46
Rot. Bonds6

About N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 171816355) has the molecular formula C24H17F5N6O2 and a molecular weight of 516.43 g/mol. Its IUPAC name is N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID171816355
Molecular FormulaC24H17F5N6O2
Molecular Weight516.43 g/mol
Exact Mass516.13
IUPAC NameN-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNc1nccc(Oc2c(F)cc(NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)cc2F)c1C1CC1
InChIInChI=1S/C24H17F5N6O2/c25-15-9-13(10-16(26)20(15)37-17-6-8-32-22(30)19(17)12-4-5-12)34-23(36)14-11-33-35(21(14)24(27,28)29)18-3-1-2-7-31-18/h1-3,6-12H,4-5H2,(H2,30,32)(H,34,36)
InChIKeyLKOGZYSUDHAZKS-UHFFFAOYSA-N
XLogP5.46
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.43
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-ethynyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-(3-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171816388
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-(3-hydroxybut-1-ynyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]-1-(3-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171816387
N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31972467
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545418
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545400
N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39892892
N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545376
1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134609753
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31911009
2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one
CID 137413391

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 171816355) is N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is Nc1nccc(Oc2c(F)cc(NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)cc2F)c1C1CC1.
What is the InChIKey of N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is LKOGZYSUDHAZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N6O2/c25-15-9-13(10-16(26)20(15)37-17-6-8-32-22(30)19(17)12-4-5-12)34-23(36)14-11-33-35(21(14)24(27,28)29)18-3-1-2-7-31-18/h1-3,6-12H,4-5H2,(H2,30,32)(H,34,36).
What are the key properties of N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 516.43 g/mol, XLogP of 5.46, 6 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-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 171816355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).