6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane

C69H70Cl7N23O2 — CID 158149572

About 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane

6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane (PubChem CID 158149572) has the molecular formula C69H70Cl7N23O2 and a molecular weight of 1501.65 g/mol. Its IUPAC name is 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane.

Molecular Properties

• Compound Name: 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane
• PubChem CID: 158149572
• Molecular Formula: C69H70Cl7N23O2
• Molecular Weight: 1501.65 g/mol
• Exact Mass: 1497.39
• IUPAC Name: 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane
• SMILES: C.Cc1ccc(-n2ncc3c(NCc4cccnc4)nc(Cl)nc32)cc1.Clc1ccc(-n2ncc3c(NCC4CCCO4)nc(Cl)nc32)cc1.Clc1ccc(-n2ncc3c(NCCN4CCCC4)nc(Cl)nc32)cc1.Clc1ccc(-n2ncc3c(NCCN4CCOCC4)nc(Cl)nc32)cc1
• InChI: InChI=1S/C18H15ClN6.C17H18Cl2N6O.C17H18Cl2N6.C16H15Cl2N5O.CH4/c1-12-4-6-14(7-5-12)25-17-15(11-22-25)16(23-18(19)24-17)21-10-13-3-2-8-20-9-13;18-12-1-3-13(4-2-12)25-16-14(11-21-25)15(22-17(19)23-16)20-5-6-24-7-9-26-10-8-24;18-12-3-5-13(6-4-12)25-16-14(11-21-25)15(22-17(19)23-16)20-7-10-24-8-1-2-9-24;17-10-3-5-11(6-4-10)23-15-13(9-20-23)14(21-16(18)22-15)19-8-12-2-1-7-24-12;/h2-9,11H,10H2,1H3,(H,21,23,24);1-4,11H,5-10H2,(H,20,22,23);3-6,11H,1-2,7-10H2,(H,20,22,23);3-6,9,12H,1-2,7-8H2,(H,19,21,22);1H4
• InChIKey: FUXYBABKLPVDGW-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 260.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1501.65
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane?

The IUPAC name of 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane (CID 158149572) is 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane.

What is the SMILES notation for 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane?

The canonical SMILES for 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane is C.Cc1ccc(-n2ncc3c(NCc4cccnc4)nc(Cl)nc32)cc1.Clc1ccc(-n2ncc3c(NCC4CCCO4)nc(Cl)nc32)cc1.Clc1ccc(-n2ncc3c(NCCN4CCCC4)nc(Cl)nc32)cc1.Clc1ccc(-n2ncc3c(NCCN4CCOCC4)nc(Cl)nc32)cc1.

What is the InChIKey of 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane?

The InChIKey is FUXYBABKLPVDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6.C17H18Cl2N6O.C17H18Cl2N6.C16H15Cl2N5O.CH4/c1-12-4-6-14(7-5-12)25-17-15(11-22-25)16(23-18(19)24-17)21-10-13-3-2-8-20-9-13;18-12-1-3-13(4-2-12)25-16-14(11-21-25)15(22-17(19)23-16)20-5-6-24-7-9-26-10-8-24;18-12-3-5-13(6-4-12)25-16-14(11-21-25)15(22-17(19)23-16)20-7-10-24-8-1-2-9-24;17-10-3-5-11(6-4-10)23-15-13(9-20-23)14(21-16(18)22-15)19-8-12-2-1-7-24-12;/h2-9,11H,10H2,1H3,(H,21,23,24);1-4,11H,5-10H2,(H,20,22,23);3-6,11H,1-2,7-10H2,(H,20,22,23);3-6,9,12H,1-2,7-8H2,(H,19,21,22);1H4.

What are the key properties of 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane?

6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane has a molecular weight of 1501.65 g/mol, XLogP of 14.63, 18 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane is sourced from PubChem (CID 158149572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).