N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H11ClF4N8O2 — CID 166545376

IUPACN-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNc1ncnc(Oc2ccc(NC(=O)c3cnn(-c4cccnn4)c3C(F)(F)F)cc2F)c1Cl
InChIInChI=1S/C19H11ClF4N8O2/c20-14-16(25)26-8-27-18(14)34-12-4-3-9(6-11(12)21)30-17(33)10-7-29-32(15(10)19(22,23)24)13-2-1-5-28-31-13/h1-8H,(H,30,33)(H2,25,26,27)
InChIKeyWRMMQBYABJJAJY-UHFFFAOYSA-N
MW494.80 g/mol
LogP3.89
Rot. Bonds5

About N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 166545376) has the molecular formula C19H11ClF4N8O2 and a molecular weight of 494.80 g/mol. Its IUPAC name is N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID166545376
Molecular FormulaC19H11ClF4N8O2
Molecular Weight494.80 g/mol
Exact Mass494.06
IUPAC NameN-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNc1ncnc(Oc2ccc(NC(=O)c3cnn(-c4cccnn4)c3C(F)(F)F)cc2F)c1Cl
InChIInChI=1S/C19H11ClF4N8O2/c20-14-16(25)26-8-27-18(14)34-12-4-3-9(6-11(12)21)30-17(33)10-7-29-32(15(10)19(22,23)24)13-2-1-5-28-31-13/h1-8H,(H,30,33)(H2,25,26,27)
InChIKeyWRMMQBYABJJAJY-UHFFFAOYSA-N
XLogP3.89
TPSA133.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.80
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545418
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-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-6-methyl-1-(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 167268776
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-iodo-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171816345
3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-(4-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175979400
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-[(2-amino-3-ethynyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-(3-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171816388
N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31972467
N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39892892
[4-tert-butyl-6-[4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl] carbamate
CID 175386432

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 166545376) is N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is Nc1ncnc(Oc2ccc(NC(=O)c3cnn(-c4cccnn4)c3C(F)(F)F)cc2F)c1Cl.
What is the InChIKey of N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is WRMMQBYABJJAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF4N8O2/c20-14-16(25)26-8-27-18(14)34-12-4-3-9(6-11(12)21)30-17(33)10-7-29-32(15(10)19(22,23)24)13-2-1-5-28-31-13/h1-8H,(H,30,33)(H2,25,26,27).
What are the key properties of N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 494.80 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166545376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).