2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol

C21H19Cl2N5O2 — CID 11305338

IUPAC2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)Nc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12
InChIInChI=1S/C21H19Cl2N5O2/c1-21(10-29,11-30)26-20-18-17(24-12-25-20)19(13-6-8-14(22)9-7-13)28(27-18)16-5-3-2-4-15(16)23/h2-9,12,29-30H,10-11H2,1H3,(H,24,25,26)
InChIKeyWMZZGMGAMZORQV-UHFFFAOYSA-N
MW444.32 g/mol
LogP3.94
Rot. Bonds6

About 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol

2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol (PubChem CID 11305338) has the molecular formula C21H19Cl2N5O2 and a molecular weight of 444.32 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol
PubChem CID11305338
Molecular FormulaC21H19Cl2N5O2
Molecular Weight444.32 g/mol
Exact Mass443.09
IUPAC Name2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)Nc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12
InChIInChI=1S/C21H19Cl2N5O2/c1-21(10-29,11-30)26-20-18-17(24-12-25-20)19(13-6-8-14(22)9-7-13)28(27-18)16-5-3-2-4-15(16)23/h2-9,12,29-30H,10-11H2,1H3,(H,24,25,26)
InChIKeyWMZZGMGAMZORQV-UHFFFAOYSA-N
XLogP3.94
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.32
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol (CID 11305338) is 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol is CC(CO)(CO)Nc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol?
The InChIKey is WMZZGMGAMZORQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O2/c1-21(10-29,11-30)26-20-18-17(24-12-25-20)19(13-6-8-14(22)9-7-13)28(27-18)16-5-3-2-4-15(16)23/h2-9,12,29-30H,10-11H2,1H3,(H,24,25,26).
What are the key properties of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol?
2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol has a molecular weight of 444.32 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 11305338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).