2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

C21H19ClF2N6 — CID 42808419

IUPAC2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCC(C)CNc1nc(-c2cccc(F)c2F)c2c(N)n(-c3ccccc3Cl)nc2n1
InChIInChI=1S/C21H19ClF2N6/c1-11(2)10-26-21-27-18(12-6-5-8-14(23)17(12)24)16-19(25)30(29-20(16)28-21)15-9-4-3-7-13(15)22/h3-9,11H,10,25H2,1-2H3,(H,26,28,29)
InChIKeyOMDIZLLEBMKIKW-UHFFFAOYSA-N
MW428.87 g/mol
LogP5.06
Rot. Bonds5

About 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42808419) has the molecular formula C21H19ClF2N6 and a molecular weight of 428.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42808419
Molecular FormulaC21H19ClF2N6
Molecular Weight428.87 g/mol
Exact Mass428.13
IUPAC Name2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCC(C)CNc1nc(-c2cccc(F)c2F)c2c(N)n(-c3ccccc3Cl)nc2n1
InChIInChI=1S/C21H19ClF2N6/c1-11(2)10-26-21-27-18(12-6-5-8-14(23)17(12)24)16-19(25)30(29-20(16)28-21)15-9-4-3-7-13(15)22/h3-9,11H,10,25H2,1-2H3,(H,26,28,29)
InChIKeyOMDIZLLEBMKIKW-UHFFFAOYSA-N
XLogP5.06
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.87
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808421
4-(2,3-difluorophenyl)-6-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669231
4-(2,3-difluorophenyl)-6-N-(2-methoxyethyl)-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669292
4-(2,3-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669189
4-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669410
4-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808067
4-(2-chlorophenyl)-6-N-(cyclopropylmethyl)-2-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667787
6-N-cyclopentyl-4-(2,3-difluorophenyl)-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669251
4-(2-fluorophenyl)-2-(3-fluorophenyl)-6-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668511
6-N,2-dibenzyl-4-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668411
2-benzyl-4-(2-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668410
2-(4-chlorophenyl)-4-(2-fluorophenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93297587

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42808419) is 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is CC(C)CNc1nc(-c2cccc(F)c2F)c2c(N)n(-c3ccccc3Cl)nc2n1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is OMDIZLLEBMKIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N6/c1-11(2)10-26-21-27-18(12-6-5-8-14(23)17(12)24)16-19(25)30(29-20(16)28-21)15-9-4-3-7-13(15)22/h3-9,11H,10,25H2,1-2H3,(H,26,28,29).
What are the key properties of 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 428.87 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42808419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).