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

C24H19F2N7O — CID 27542899

IUPACN-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1
InChIInChI=1S/C24H19F2N7O/c1-13-5-4-6-20(15(13)3)32-22-17(11-29-32)23(28-12-27-22)33-21(9-14(2)31-33)30-24(34)16-7-8-18(25)19(26)10-16/h4-12H,1-3H3,(H,30,34)
InChIKeyCDLOJACSHJHZGL-UHFFFAOYSA-N
MW459.46 g/mol
LogP4.46
Rot. Bonds4

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

N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide (PubChem CID 27542899) has the molecular formula C24H19F2N7O and a molecular weight of 459.46 g/mol. Its IUPAC name is N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide
PubChem CID27542899
Molecular FormulaC24H19F2N7O
Molecular Weight459.46 g/mol
Exact Mass459.16
IUPAC NameN-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1
InChIInChI=1S/C24H19F2N7O/c1-13-5-4-6-20(15(13)3)32-22-17(11-29-32)23(28-12-27-22)33-21(9-14(2)31-33)30-24(34)16-7-8-18(25)19(26)10-16/h4-12H,1-3H3,(H,30,34)
InChIKeyCDLOJACSHJHZGL-UHFFFAOYSA-N
XLogP4.46
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 54.46
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]-3,4-difluorobenzamide?
The IUPAC name of N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide (CID 27542899) is N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide is Cc1cc(NC(=O)c2ccc(F)c(F)c2)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]-3,4-difluorobenzamide?
The InChIKey is CDLOJACSHJHZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O/c1-13-5-4-6-20(15(13)3)32-22-17(11-29-32)23(28-12-27-22)33-21(9-14(2)31-33)30-24(34)16-7-8-18(25)19(26)10-16/h4-12H,1-3H3,(H,30,34).
What are the key properties of N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide?
N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide has a molecular weight of 459.46 g/mol, XLogP of 4.46, 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]-3,4-difluorobenzamide is sourced from PubChem (CID 27542899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).