N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

C20H18FN5 — CID 110435041

IUPACN-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)cc(Nc2ncnc3c2c(C)nn3-c2ccccc2F)c1
InChIInChI=1S/C20H18FN5/c1-12-8-13(2)10-15(9-12)24-19-18-14(3)25-26(20(18)23-11-22-19)17-7-5-4-6-16(17)21/h4-11H,1-3H3,(H,22,23,24)
InChIKeyYIGRSXPYSZNZSC-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.62
Rot. Bonds3

About N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110435041) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110435041
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC NameN-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)cc(Nc2ncnc3c2c(C)nn3-c2ccccc2F)c1
InChIInChI=1S/C20H18FN5/c1-12-8-13(2)10-15(9-12)24-19-18-14(3)25-26(20(18)23-11-22-19)17-7-5-4-6-16(17)21/h4-11H,1-3H3,(H,22,23,24)
InChIKeyYIGRSXPYSZNZSC-UHFFFAOYSA-N
XLogP4.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432093
2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 110432120
1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine
CID 110435881
N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434946
4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine
CID 110433764
N-(4-bromophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434878
N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434913
4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine
CID 29090615
7-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 22590064
3-methyl-N-(4-methylphenyl)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 169410226
3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
CID 110435024
1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434899

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 110435041) is N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(C)cc(Nc2ncnc3c2c(C)nn3-c2ccccc2F)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YIGRSXPYSZNZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c1-12-8-13(2)10-15(9-12)24-19-18-14(3)25-26(20(18)23-11-22-19)17-7-5-4-6-16(17)21/h4-11H,1-3H3,(H,22,23,24).
What are the key properties of N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 347.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110435041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).