N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide

C24H19F2N7O2 — CID 135881002

IUPACN-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)n1
InChIInChI=1S/C24H19F2N7O2/c1-12-6-4-9-18(14(12)3)32-21-15(11-27-32)22(34)30-24(29-21)33-19(10-13(2)31-33)28-23(35)20-16(25)7-5-8-17(20)26/h4-11H,1-3H3,(H,28,35)(H,29,30,34)
InChIKeyQFWHJTFALUSNIV-UHFFFAOYSA-N
MW475.46 g/mol
LogP3.75
Rot. Bonds4

About N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide

N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide (PubChem CID 135881002) has the molecular formula C24H19F2N7O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide
PubChem CID135881002
Molecular FormulaC24H19F2N7O2
Molecular Weight475.46 g/mol
Exact Mass475.16
IUPAC NameN-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)n1
InChIInChI=1S/C24H19F2N7O2/c1-12-6-4-9-18(14(12)3)32-21-15(11-27-32)22(34)30-24(29-21)33-19(10-13(2)31-33)28-23(35)20-16(25)7-5-8-17(20)26/h4-11H,1-3H3,(H,28,35)(H,29,30,34)
InChIKeyQFWHJTFALUSNIV-UHFFFAOYSA-N
XLogP3.75
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide 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-cyclopropyl-3-((1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo(3,4-b)pyridin-4-yl)amino)-4-methylbenzamide
CID 42647297
N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
CID 25118220
5-amino-1-(2-fluorophenyl)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 49838879
N-Cyclopropyl-3-(1-(2,4-difluorophenyl)-7-ethyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 25119991
N-cyclopropyl-3-(1-(2,5-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)-4-methylbenzamide
CID 25271186
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 145994862
N-cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)-4-methylbenzamide
CID 45273566
N-Cyclopropyl-3-(1-(2-fluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 46197240
Cyclopenta[a]fluorene-4,10-dione, 1-phenyl-5,5a-dihydro-1H-1,2,5,10a-tetraaza-
CID 661148
5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3243545

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide (CID 135881002) is N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide is Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)n1.
What is the InChIKey of N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide?
The InChIKey is QFWHJTFALUSNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O2/c1-12-6-4-9-18(14(12)3)32-21-15(11-27-32)22(34)30-24(29-21)33-19(10-13(2)31-33)28-23(35)20-16(25)7-5-8-17(20)26/h4-11H,1-3H3,(H,28,35)(H,29,30,34).
What are the key properties of N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide?
N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide has a molecular weight of 475.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 135881002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).