4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine

C17H19F2N7 — CID 42669297

IUPAC4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCN1CCN(c2nc(-c3cccc(F)c3F)c3c(N)n(C)nc3n2)CC1
InChIInChI=1S/C17H19F2N7/c1-24-6-8-26(9-7-24)17-21-14(10-4-3-5-11(18)13(10)19)12-15(20)25(2)23-16(12)22-17/h3-5H,6-9,20H2,1-2H3
InChIKeyLBRYFCNVGBAQBU-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.64
Rot. Bonds2

About 4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine

4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42669297) has the molecular formula C17H19F2N7 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42669297
Molecular FormulaC17H19F2N7
Molecular Weight359.38 g/mol
Exact Mass359.17
IUPAC Name4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCN1CCN(c2nc(-c3cccc(F)c3F)c3c(N)n(C)nc3n2)CC1
InChIInChI=1S/C17H19F2N7/c1-24-6-8-26(9-7-24)17-21-14(10-4-3-5-11(18)13(10)19)12-15(20)25(2)23-16(12)22-17/h3-5H,6-9,20H2,1-2H3
InChIKeyLBRYFCNVGBAQBU-UHFFFAOYSA-N
XLogP1.64
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (CID 42669297) is 4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is CN1CCN(c2nc(-c3cccc(F)c3F)c3c(N)n(C)nc3n2)CC1.
What is the InChIKey of 4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is LBRYFCNVGBAQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N7/c1-24-6-8-26(9-7-24)17-21-14(10-4-3-5-11(18)13(10)19)12-15(20)25(2)23-16(12)22-17/h3-5H,6-9,20H2,1-2H3.
What are the key properties of 4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 359.38 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42669297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).