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

C22H21ClFN7 — CID 42667891

IUPAC2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCN1CCN(c2nc(-c3ccc(F)cc3)c3c(N)n(-c4ccccc4Cl)nc3n2)CC1
InChIInChI=1S/C22H21ClFN7/c1-29-10-12-30(13-11-29)22-26-19(14-6-8-15(24)9-7-14)18-20(25)31(28-21(18)27-22)17-5-3-2-4-16(17)23/h2-9H,10-13,25H2,1H3
InChIKeyVTZSLTNEDAZKGG-UHFFFAOYSA-N
MW437.91 g/mol
LogP3.61
Rot. Bonds3

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

2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42667891) has the molecular formula C22H21ClFN7 and a molecular weight of 437.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42667891
Molecular FormulaC22H21ClFN7
Molecular Weight437.91 g/mol
Exact Mass437.15
IUPAC Name2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCN1CCN(c2nc(-c3ccc(F)cc3)c3c(N)n(-c4ccccc4Cl)nc3n2)CC1
InChIInChI=1S/C22H21ClFN7/c1-29-10-12-30(13-11-29)22-26-19(14-6-8-15(24)9-7-14)18-20(25)31(28-21(18)27-22)17-5-3-2-4-16(17)23/h2-9H,10-13,25H2,1H3
InChIKeyVTZSLTNEDAZKGG-UHFFFAOYSA-N
XLogP3.61
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (CID 42667891) is 2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is CN1CCN(c2nc(-c3ccc(F)cc3)c3c(N)n(-c4ccccc4Cl)nc3n2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is VTZSLTNEDAZKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN7/c1-29-10-12-30(13-11-29)22-26-19(14-6-8-15(24)9-7-14)18-20(25)31(28-21(18)27-22)17-5-3-2-4-16(17)23/h2-9H,10-13,25H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 437.91 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42667891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).