6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)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

C52H51Cl5N18O — CID 157217468

About 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)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

6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)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 (PubChem CID 157217468) has the molecular formula C52H51Cl5N18O and a molecular weight of 1121.37 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-(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.

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-(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
• PubChem CID: 157217468
• Molecular Formula: C52H51Cl5N18O
• Molecular Weight: 1121.37 g/mol
• Exact Mass: 1118.29
• 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-(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
• SMILES: Cc1ccc(-n2ncc3c(NCc4cccnc4)nc(Cl)nc32)cc1.Clc1ccc(-n2ncc3c(NCCN4CCCC4)nc(Cl)nc32)cc1.Clc1ccc(-n2ncc3c(NCCN4CCOCC4)nc(Cl)nc32)cc1
• InChI: InChI=1S/C18H15ClN6.C17H18Cl2N6O.C17H18Cl2N6/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/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)
• InChIKey: ASOWQVCOIAWBFZ-UHFFFAOYSA-N
• XLogP: 10.28
• TPSA: 195.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1121.37
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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-(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?

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-(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 (CID 157217468) is 6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)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.

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-(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?

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-(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 is Cc1ccc(-n2ncc3c(NCc4cccnc4)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-(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?

The InChIKey is ASOWQVCOIAWBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6.C17H18Cl2N6O.C17H18Cl2N6/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/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).

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-(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?

6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)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 has a molecular weight of 1121.37 g/mol, XLogP of 10.28, 14 rotatable bonds, 3 hydrogen bond donors, and 19 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-(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 is sourced from PubChem (CID 157217468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).