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

C22H21Cl2N7 — CID 42668625

IUPAC2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCN1CCN(c2nc(-c3cccc(Cl)c3)c3c(N)n(-c4ccccc4Cl)nc3n2)CC1
InChIInChI=1S/C22H21Cl2N7/c1-29-9-11-30(12-10-29)22-26-19(14-5-4-6-15(23)13-14)18-20(25)31(28-21(18)27-22)17-8-3-2-7-16(17)24/h2-8,13H,9-12,25H2,1H3
InChIKeyGACCOFLBFHBLPN-UHFFFAOYSA-N
MW454.37 g/mol
LogP4.12
Rot. Bonds3

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

2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42668625) has the molecular formula C22H21Cl2N7 and a molecular weight of 454.37 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42668625
Molecular FormulaC22H21Cl2N7
Molecular Weight454.37 g/mol
Exact Mass453.12
IUPAC Name2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCN1CCN(c2nc(-c3cccc(Cl)c3)c3c(N)n(-c4ccccc4Cl)nc3n2)CC1
InChIInChI=1S/C22H21Cl2N7/c1-29-9-11-30(12-10-29)22-26-19(14-5-4-6-15(23)13-14)18-20(25)31(28-21(18)27-22)17-8-3-2-7-16(17)24/h2-8,13H,9-12,25H2,1H3
InChIKeyGACCOFLBFHBLPN-UHFFFAOYSA-N
XLogP4.12
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 54.12
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-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (CID 42668625) is 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is CN1CCN(c2nc(-c3cccc(Cl)c3)c3c(N)n(-c4ccccc4Cl)nc3n2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is GACCOFLBFHBLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N7/c1-29-9-11-30(12-10-29)22-26-19(14-5-4-6-15(23)13-14)18-20(25)31(28-21(18)27-22)17-8-3-2-7-16(17)24/h2-8,13H,9-12,25H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 454.37 g/mol, XLogP of 4.12, 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-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42668625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).