N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide

C26H21N5O4 — CID 44516532

IUPACN-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)c4cn(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
InChIInChI=1S/C26H21N5O4/c1-30-16-21(26(33)31(30)17-6-4-3-5-7-17)25(32)29-24-11-9-19(15-28-24)35-23-12-13-27-22-14-18(34-2)8-10-20(22)23/h3-16H,1-2H3,(H,28,29,32)
InChIKeyISRQETGPAFAXMC-UHFFFAOYSA-N
MW467.49 g/mol
LogP4.17
Rot. Bonds6

About N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide

N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 44516532) has the molecular formula C26H21N5O4 and a molecular weight of 467.49 g/mol. Its IUPAC name is N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID44516532
Molecular FormulaC26H21N5O4
Molecular Weight467.49 g/mol
Exact Mass467.16
IUPAC NameN-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)c4cn(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
InChIInChI=1S/C26H21N5O4/c1-30-16-21(26(33)31(30)17-6-4-3-5-7-17)25(32)29-24-11-9-19(15-28-24)35-23-12-13-27-22-14-18(34-2)8-10-20(22)23/h3-16H,1-2H3,(H,28,29,32)
InChIKeyISRQETGPAFAXMC-UHFFFAOYSA-N
XLogP4.17
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2,2-dimethylpropyl)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 160606209
N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide
CID 121361538
1-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-3-oxo-2-phenylpyrazole-4-carboxamide
CID 151355496
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
[(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
[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] (2S)-2-aminopropanoate;hydrochloride
CID 66669934
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;hydrochloride
CID 68742173
[(2R)-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;oxalic acid
CID 46938116
benzoic acid;[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] (2S)-2-aminopropanoate
CID 46937601
(2S,3R)-2-amino-4-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]-2,3-dimethylbutanoic acid;ethanesulfonic acid
CID 87556737
(2S,3R)-2-amino-4-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]-2,3-dimethylbutanoic acid;(Z)-but-2-enedioic acid
CID 68743606
[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-[methyl(phenylmethoxycarbonyl)amino]acetate
CID 66670722

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 44516532) is N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide is COc1ccc2c(Oc3ccc(NC(=O)c4cn(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1.
What is the InChIKey of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is ISRQETGPAFAXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4/c1-30-16-21(26(33)31(30)17-6-4-3-5-7-17)25(32)29-24-11-9-19(15-28-24)35-23-12-13-27-22-14-18(34-2)8-10-20(22)23/h3-16H,1-2H3,(H,28,29,32).
What are the key properties of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide?
N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 467.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 44516532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).