N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

C21H18BrFN4O2 — CID 46279462

IUPACN-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
SMILESCc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C21H18BrFN4O2/c1-13-10-19-26(20(28)8-9-27(19)25-13)12-14-2-4-15(5-3-14)21(29)24-18-7-6-16(22)11-17(18)23/h2-7,10-11H,8-9,12H2,1H3,(H,24,29)
InChIKeyTWLZDRUQGPXJHE-UHFFFAOYSA-N
MW457.30 g/mol
LogP4.28
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (PubChem CID 46279462) has the molecular formula C21H18BrFN4O2 and a molecular weight of 457.30 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
PubChem CID46279462
Molecular FormulaC21H18BrFN4O2
Molecular Weight457.30 g/mol
Exact Mass456.06
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
SMILESCc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C21H18BrFN4O2/c1-13-10-19-26(20(28)8-9-27(19)25-13)12-14-2-4-15(5-3-14)21(29)24-18-7-6-16(22)11-17(18)23/h2-7,10-11H,8-9,12H2,1H3,(H,24,29)
InChIKeyTWLZDRUQGPXJHE-UHFFFAOYSA-N
XLogP4.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide 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-[(4-Acetylphenyl)methyl]-5-(3,4-difluoroanilino)-8,11,11-trimethyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
CID 86279223
7,8-Dihydro-2-(4-acetylbenzyl)-3-(4-fluorophenylamino)-5,7,7-trimethyl-[2H]-imidazo-[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one
CID 90409046
2-(3-Bromo-4-fluorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983698
N-[4-[(4-bromoanilino)-morpholin-4-ylphosphoryl]-1-(2-cyanoethyl)-3-methylpyrazol-5-yl]benzamide
CID 2319682
N-(2-ethylphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 16022732
N-(4-Bromo-3-methylphenyl)-4-({2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}methyl)benzamide
CID 16022754
4-({2-Methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}methyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16022726
N-(5-Chloro-2-methylphenyl)-4-({2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}methyl)benzamide
CID 16022728
(4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 134808576
5-(4-bromophenyl)-N-isopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3732041
5-(4-bromophenyl)-N-(2-phenylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4694397
5-(4-Bromophenyl)-N-butyl-4,5,6,7-tetrahydro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5140196

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (CID 46279462) is N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The InChIKey is TWLZDRUQGPXJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN4O2/c1-13-10-19-26(20(28)8-9-27(19)25-13)12-14-2-4-15(5-3-14)21(29)24-18-7-6-16(22)11-17(18)23/h2-7,10-11H,8-9,12H2,1H3,(H,24,29).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide has a molecular weight of 457.30 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 46279462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).