6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H22ClFN4O2 — CID 5051328

IUPAC6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2c[nH]n3c(=O)c(Cc4ccc(F)cc4Cl)c(C)nc23)cc1
InChIInChI=1S/C24H22ClFN4O2/c1-14-3-5-16(6-4-14)9-10-27-23(31)20-13-28-30-22(20)29-15(2)19(24(30)32)11-17-7-8-18(26)12-21(17)25/h3-8,12-13,28H,9-11H2,1-2H3,(H,27,31)
InChIKeyLBAGRZVQOMBIFU-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.00
Rot. Bonds6

About 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5051328) has the molecular formula C24H22ClFN4O2 and a molecular weight of 452.92 g/mol. Its IUPAC name is 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5051328
Molecular FormulaC24H22ClFN4O2
Molecular Weight452.92 g/mol
Exact Mass452.14
IUPAC Name6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2c[nH]n3c(=O)c(Cc4ccc(F)cc4Cl)c(C)nc23)cc1
InChIInChI=1S/C24H22ClFN4O2/c1-14-3-5-16(6-4-14)9-10-27-23(31)20-13-28-30-22(20)29-15(2)19(24(30)32)11-17-7-8-18(26)12-21(17)25/h3-8,12-13,28H,9-11H2,1-2H3,(H,27,31)
InChIKeyLBAGRZVQOMBIFU-UHFFFAOYSA-N
XLogP4.00
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-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

6-[(4-fluorophenyl)methyl]-5-methyl-N-(2-morpholin-4-ylethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15996161
N-cyclopropyl-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3638187
5-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 3422239
5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431765
6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126479547
N-[2-(2,4-dichlorophenyl)ethyl]-2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 4652456
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide
CID 63048750
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 4563440
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide
CID 113206229
N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160818523

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5051328) is 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(CCNC(=O)c2c[nH]n3c(=O)c(Cc4ccc(F)cc4Cl)c(C)nc23)cc1.
What is the InChIKey of 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LBAGRZVQOMBIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O2/c1-14-3-5-16(6-4-14)9-10-27-23(31)20-13-28-30-22(20)29-15(2)19(24(30)32)11-17-7-8-18(26)12-21(17)25/h3-8,12-13,28H,9-11H2,1-2H3,(H,27,31).
What are the key properties of 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5051328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).