4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine

C19H24FN7O — CID 42808342

IUPAC4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCOCCN1CCN(c2nc(-c3cccc(F)c3)c3c(N)n(C)nc3n2)CC1
InChIInChI=1S/C19H24FN7O/c1-25-17(21)15-16(13-4-3-5-14(20)12-13)22-19(23-18(15)24-25)27-8-6-26(7-9-27)10-11-28-2/h3-5,12H,6-11,21H2,1-2H3
InChIKeyJOQRLVYULCILEE-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.52
Rot. Bonds5

About 4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine

4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42808342) has the molecular formula C19H24FN7O and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42808342
Molecular FormulaC19H24FN7O
Molecular Weight385.45 g/mol
Exact Mass385.20
IUPAC Name4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCOCCN1CCN(c2nc(-c3cccc(F)c3)c3c(N)n(C)nc3n2)CC1
InChIInChI=1S/C19H24FN7O/c1-25-17(21)15-16(13-4-3-5-14(20)12-13)22-19(23-18(15)24-25)27-8-6-26(7-9-27)10-11-28-2/h3-5,12H,6-11,21H2,1-2H3
InChIKeyJOQRLVYULCILEE-UHFFFAOYSA-N
XLogP1.52
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-4-(3-phenoxyphenyl)-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669543
2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669362
2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42808525
2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42808160
4-(3-fluorophenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668916
6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-(4-fluorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667997
4-(3-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668934
2-benzyl-6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42808324
2-benzyl-4-(2-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668430
4-(2,3-difluorophenyl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42669306
4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667995
2-benzyl-4-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42668786

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42808342) is 4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine is COCCN1CCN(c2nc(-c3cccc(F)c3)c3c(N)n(C)nc3n2)CC1.
What is the InChIKey of 4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is JOQRLVYULCILEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN7O/c1-25-17(21)15-16(13-4-3-5-14(20)12-13)22-19(23-18(15)24-25)27-8-6-26(7-9-27)10-11-28-2/h3-5,12H,6-11,21H2,1-2H3.
What are the key properties of 4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine?
4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 385.45 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42808342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).