N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide

C32H24FN5O5 — CID 91532319

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(N(C(=O)c4cc(-c5cn[nH]c5)c[nH]c4=O)c4ccccc4)cc3F)c2cc1OC
InChIInChI=1S/C32H24FN5O5/c1-41-29-14-23-26(15-30(29)42-2)34-11-10-27(23)43-28-9-8-22(13-25(28)33)38(21-6-4-3-5-7-21)32(40)24-12-19(16-35-31(24)39)20-17-36-37-18-20/h3-18H,1-2H3,(H,35,39)(H,36,37)
InChIKeyIWFQDSSWMGIFAF-UHFFFAOYSA-N
MW577.57 g/mol
LogP6.24
Rot. Bonds8

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide (PubChem CID 91532319) has the molecular formula C32H24FN5O5 and a molecular weight of 577.57 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide
PubChem CID91532319
Molecular FormulaC32H24FN5O5
Molecular Weight577.57 g/mol
Exact Mass577.18
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(N(C(=O)c4cc(-c5cn[nH]c5)c[nH]c4=O)c4ccccc4)cc3F)c2cc1OC
InChIInChI=1S/C32H24FN5O5/c1-41-29-14-23-26(15-30(29)42-2)34-11-10-27(23)43-28-9-8-22(13-25(28)33)38(21-6-4-3-5-7-21)32(40)24-12-19(16-35-31(24)39)20-17-36-37-18-20/h3-18H,1-2H3,(H,35,39)(H,36,37)
InChIKeyIWFQDSSWMGIFAF-UHFFFAOYSA-N
XLogP6.24
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.57
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 69396264
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-methyl-2-(N-methylanilino)pyrimidin-4-one
CID 11858193
1-N'-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 170901391
1-N'-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 68636414
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-methylcarbamothioyl]-2-phenylacetamide
CID 11443521
4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline
CID 141201268
N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide
CID 154400093
4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 67017411
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-methyl-2-[N-(3-methylbutyl)anilino]pyrimidin-4-one
CID 11858285
4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 11268045
[4-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]piperazin-1-yl]-phenylmethanone
CID 58170285
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methylbutanamide;1-methoxypropane;bis(prop-1-ene)
CID 143237097

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide (CID 91532319) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(N(C(=O)c4cc(-c5cn[nH]c5)c[nH]c4=O)c4ccccc4)cc3F)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide?
The InChIKey is IWFQDSSWMGIFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN5O5/c1-41-29-14-23-26(15-30(29)42-2)34-11-10-27(23)43-28-9-8-22(13-25(28)33)38(21-6-4-3-5-7-21)32(40)24-12-19(16-35-31(24)39)20-17-36-37-18-20/h3-18H,1-2H3,(H,35,39)(H,36,37).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide has a molecular weight of 577.57 g/mol, XLogP of 6.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91532319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).