4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide

C22H18BrFN4O4 — CID 56847293

IUPAC4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4nn(C)cc4Br)cc3F)c2cc1OC
InChIInChI=1S/C22H18BrFN4O4/c1-28-11-14(23)21(27-28)22(29)26-12-4-5-18(15(24)8-12)32-17-6-7-25-16-10-20(31-3)19(30-2)9-13(16)17/h4-11H,1-3H3,(H,26,29)
InChIKeyBQEMJORTJDQBFZ-UHFFFAOYSA-N
MW501.31 g/mol
LogP4.93
Rot. Bonds6

About 4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide

4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 56847293) has the molecular formula C22H18BrFN4O4 and a molecular weight of 501.31 g/mol. Its IUPAC name is 4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide
PubChem CID56847293
Molecular FormulaC22H18BrFN4O4
Molecular Weight501.31 g/mol
Exact Mass500.05
IUPAC Name4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4nn(C)cc4Br)cc3F)c2cc1OC
InChIInChI=1S/C22H18BrFN4O4/c1-28-11-14(23)21(27-28)22(29)26-12-4-5-18(15(24)8-12)32-17-6-7-25-16-10-20(31-3)19(30-2)9-13(16)17/h4-11H,1-3H3,(H,26,29)
InChIKeyBQEMJORTJDQBFZ-UHFFFAOYSA-N
XLogP4.93
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-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

4-bromo-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-carboxamide
CID 56846738
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethyl-2-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 90452687
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 56847425
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole-3-carboxamide
CID 66611812
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-methyl-3,5-dioxo-4-prop-2-enyl-1,2,4-triazine-6-carboxamide
CID 90452691
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 139533579
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-methyl-3,5-dioxo-4-pent-2-ynyl-1,2,4-triazine-6-carboxamide
CID 90452680
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-(4-fluorophenyl)-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 90452671
4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide
CID 19262883
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide
CID 166467976
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 56603407
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 141362342

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide (CID 56847293) is 4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4nn(C)cc4Br)cc3F)c2cc1OC.
What is the InChIKey of 4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is BQEMJORTJDQBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFN4O4/c1-28-11-14(23)21(27-28)22(29)26-12-4-5-18(15(24)8-12)32-17-6-7-25-16-10-20(31-3)19(30-2)9-13(16)17/h4-11H,1-3H3,(H,26,29).
What are the key properties of 4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide?
4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 501.31 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 56847293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).