N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

C28H24N4O4 — CID 72551191

IUPACN-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILES[2H]c1cc(OC)cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3)c12
InChIInChI=1S/C28H24N4O4/c1-18-26(28(34)32(31(18)2)20-7-5-4-6-8-20)27(33)30-19-9-11-21(12-10-19)36-25-15-16-29-24-17-22(35-3)13-14-23(24)25/h4-17H,1-3H3,(H,30,33)/i14D
InChIKeyLFDTVFCRARKPPV-FCFVPJCTSA-N
MW481.53 g/mol
LogP5.09
Rot. Bonds6

About N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 72551191) has the molecular formula C28H24N4O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID72551191
Molecular FormulaC28H24N4O4
Molecular Weight481.53 g/mol
Exact Mass481.19
IUPAC NameN-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILES[2H]c1cc(OC)cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3)c12
InChIInChI=1S/C28H24N4O4/c1-18-26(28(34)32(31(18)2)20-7-5-4-6-8-20)27(33)30-19-9-11-21(12-10-19)36-25-15-16-29-24-17-22(35-3)13-14-23(24)25/h4-17H,1-3H3,(H,30,33)/i14D
InChIKeyLFDTVFCRARKPPV-FCFVPJCTSA-N
XLogP5.09
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.53
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2,5-difluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 72550966
N-[4-(6-bromo-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 70681644
1-ethyl-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 58268648
1-(4-fluorophenyl)-N-[4-[7-(2-hydroxypropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 72673581
1-(2,2-dimethylpropyl)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 160606209
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-(2-hydroxybutyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 58268684
N-[4-[[2-[(3-aminocyclobutanecarbonyl)amino]-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 73051380
N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 44516532
[(2S)-1-[4-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-methylpropanoate
CID 59491042
4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one
CID 58268717
[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminoacetate
CID 66670758
1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate
CID 68740542

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 72551191) is N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is [2H]c1cc(OC)cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3)c12.
What is the InChIKey of N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is LFDTVFCRARKPPV-FCFVPJCTSA-N. The full InChI is InChI=1S/C28H24N4O4/c1-18-26(28(34)32(31(18)2)20-7-5-4-6-8-20)27(33)30-19-9-11-21(12-10-19)36-25-15-16-29-24-17-22(35-3)13-14-23(24)25/h4-17H,1-3H3,(H,30,33)/i14D.
What are the key properties of N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 72551191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).