N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide

C24H20FN7O — CID 16809401

IUPACN-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1
InChIInChI=1S/C24H20FN7O/c1-14-7-6-10-20(16(14)3)31-22-18(12-28-31)23(27-13-26-22)32-21(11-15(2)30-32)29-24(33)17-8-4-5-9-19(17)25/h4-13H,1-3H3,(H,29,33)
InChIKeyNDGODEUQYGXGMK-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.32
Rot. Bonds4

About N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide

N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide (PubChem CID 16809401) has the molecular formula C24H20FN7O and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
PubChem CID16809401
Molecular FormulaC24H20FN7O
Molecular Weight441.47 g/mol
Exact Mass441.17
IUPAC NameN-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1
InChIInChI=1S/C24H20FN7O/c1-14-7-6-10-20(16(14)3)31-22-18(12-28-31)23(27-13-26-22)32-21(11-15(2)30-32)29-24(33)17-8-4-5-9-19(17)25/h4-13H,1-3H3,(H,29,33)
InChIKeyNDGODEUQYGXGMK-UHFFFAOYSA-N
XLogP4.32
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide (CID 16809401) is N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide is Cc1cc(NC(=O)c2ccccc2F)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1.
What is the InChIKey of N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The InChIKey is NDGODEUQYGXGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O/c1-14-7-6-10-20(16(14)3)31-22-18(12-28-31)23(27-13-26-22)32-21(11-15(2)30-32)29-24(33)17-8-4-5-9-19(17)25/h4-13H,1-3H3,(H,29,33).
What are the key properties of N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide?
N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide has a molecular weight of 441.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 16809401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).