N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

C35H35FN4O5 — CID 163637848

IUPACN-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC5CCCCCCO5)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C35H35FN4O5/c1-23-33(35(42)40(39(23)2)25-10-6-5-7-11-25)34(41)38-24-13-16-32(29(36)20-24)45-31-17-18-37-30-21-26(14-15-28(30)31)44-22-27-12-8-3-4-9-19-43-27/h5-7,10-11,13-18,20-21,27H,3-4,8-9,12,19,22H2,1-2H3,(H,38,41)
InChIKeyIBSLVSWBLNWEIJ-UHFFFAOYSA-N
MW610.69 g/mol
LogP6.94
Rot. Bonds8

About N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 163637848) has the molecular formula C35H35FN4O5 and a molecular weight of 610.69 g/mol. Its IUPAC name is N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID163637848
Molecular FormulaC35H35FN4O5
Molecular Weight610.69 g/mol
Exact Mass610.26
IUPAC NameN-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC5CCCCCCO5)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C35H35FN4O5/c1-23-33(35(42)40(39(23)2)25-10-6-5-7-11-25)34(41)38-24-13-16-32(29(36)20-24)45-31-17-18-37-30-21-26(14-15-28(30)31)44-22-27-12-8-3-4-9-19-43-27/h5-7,10-11,13-18,20-21,27H,3-4,8-9,12,19,22H2,1-2H3,(H,38,41)
InChIKeyIBSLVSWBLNWEIJ-UHFFFAOYSA-N
XLogP6.94
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.69
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 58268648
N-[4-(6-bromo-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 70681644
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-(2-hydroxybutyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 58268684
[(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
[(2S)-1-[4-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-amino-3-methylbutanoate;hydrochloride
CID 66669886
N-[4-[[3-chloro-2-(diacetylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90032668
[(4S)-2-amino-5-[4-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]-4-methylpentanoyl] benzoate
CID 87555556
[1-[3-[4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxy-2-hydroxypropyl]pyrrolidin-3-yl] 2-aminoacetate
CID 46938335
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide
CID 45274413
N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 72551191
ethane;N-[3-fluoro-4-[(8-hydroxy-6,7-dihydro-5H-cyclohepta[b]pyridin-4-yl)oxy]phenyl]-1-(2-hydroxy-2-methylbutyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 143321216
1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 46194994

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 163637848) is N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC5CCCCCCO5)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is IBSLVSWBLNWEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35FN4O5/c1-23-33(35(42)40(39(23)2)25-10-6-5-7-11-25)34(41)38-24-13-16-32(29(36)20-24)45-31-17-18-37-30-21-26(14-15-28(30)31)44-22-27-12-8-3-4-9-19-43-27/h5-7,10-11,13-18,20-21,27H,3-4,8-9,12,19,22H2,1-2H3,(H,38,41).
What are the key properties of N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 610.69 g/mol, XLogP of 6.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 163637848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).