N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide

C25H28BrFN4O3 — CID 58964254

IUPACN-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide
SMILESCOC1CCC(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2c(Br)cnn2C)NC1
InChIInChI=1S/C25H28BrFN4O3/c1-31-24(22(26)15-29-31)21-13-19(30-25(32)16-4-3-5-17(27)12-16)7-9-23(21)34-11-10-18-6-8-20(33-2)14-28-18/h3-5,7,9,12-13,15,18,20,28H,6,8,10-11,14H2,1-2H3,(H,30,32)
InChIKeyYEMLDEPKMAECNB-UHFFFAOYSA-N
MW531.43 g/mol
LogP4.78
Rot. Bonds8

About N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide

N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide (PubChem CID 58964254) has the molecular formula C25H28BrFN4O3 and a molecular weight of 531.43 g/mol. Its IUPAC name is N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide
PubChem CID58964254
Molecular FormulaC25H28BrFN4O3
Molecular Weight531.43 g/mol
Exact Mass530.13
IUPAC NameN-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide
SMILESCOC1CCC(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2c(Br)cnn2C)NC1
InChIInChI=1S/C25H28BrFN4O3/c1-31-24(22(26)15-29-31)21-13-19(30-25(32)16-4-3-5-17(27)12-16)7-9-23(21)34-11-10-18-6-8-20(33-2)14-28-18/h3-5,7,9,12-13,15,18,20,28H,6,8,10-11,14H2,1-2H3,(H,30,32)
InChIKeyYEMLDEPKMAECNB-UHFFFAOYSA-N
XLogP4.78
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.43
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide 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

N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
CID 69370189
propan-2-yl N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]carbamate
CID 69368505
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide
CID 66928354
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 66927919
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-4-chlorobenzamide
CID 66928715
1-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(3-fluorophenyl)methyl]urea
CID 66928116
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-ethoxyphenyl]-3-(2,4-difluorophenyl)urea
CID 91217921
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(3-methoxyazetidin-1-yl)ethoxy]phenyl]-2-(4-chlorophenyl)-2,2-difluoroacetamide
CID 66927784
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(3R)-pyrrolidin-3-yl]oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 66928096
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-pyrrolidin-3-yloxyphenyl]-3-(2,4-difluorophenyl)urea
CID 66928099
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluoro-2-hydroxyphenyl)urea
CID 23139520
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-piperidin-3-yloxyphenyl]-4-chlorobenzamide
CID 66927930

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide (CID 58964254) is N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide is COC1CCC(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2c(Br)cnn2C)NC1.
What is the InChIKey of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide?
The InChIKey is YEMLDEPKMAECNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrFN4O3/c1-31-24(22(26)15-29-31)21-13-19(30-25(32)16-4-3-5-17(27)12-16)7-9-23(21)34-11-10-18-6-8-20(33-2)14-28-18/h3-5,7,9,12-13,15,18,20,28H,6,8,10-11,14H2,1-2H3,(H,30,32).
What are the key properties of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide?
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide has a molecular weight of 531.43 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 58964254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).