1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C97H103N25O5 — CID 158180333

About 1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158180333) has the molecular formula C97H103N25O5 and a molecular weight of 1699.06 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158180333
• Molecular Formula: C97H103N25O5
• Molecular Weight: 1699.06 g/mol
• Exact Mass: 1697.86
• IUPAC Name: 1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: Cc1ccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)cc1.Cc1ccc(Oc2nn(C3CCCC3)c3ncnc(N)c23)cc1.Cc1cccc(Oc2nn(C3CCCC3)c3ncnc(N)c23)c1.Nc1ncnc2c1c(Cc1ccccc1Oc1ccccc1)nn2C1CCCC1.Nc1ncnc2c1c(Oc1ccccc1Oc1ccccc1)nn2C1CCCC1
• InChI: InChI=1S/C23H23N5O.C22H21N5O2.C18H21N5.2C17H19N5O/c24-22-21-19(27-28(17-9-5-6-10-17)23(21)26-15-25-22)14-16-8-4-7-13-20(16)29-18-11-2-1-3-12-18;23-20-19-21(25-14-24-20)27(15-8-4-5-9-15)26-22(19)29-18-13-7-6-12-17(18)28-16-10-2-1-3-11-16;1-12-6-8-13(9-7-12)10-15-16-17(19)20-11-21-18(16)23(22-15)14-4-2-3-5-14;1-11-5-4-8-13(9-11)23-17-14-15(18)19-10-20-16(14)22(21-17)12-6-2-3-7-12;1-11-6-8-13(9-7-11)23-17-14-15(18)19-10-20-16(14)22(21-17)12-4-2-3-5-12/h1-4,7-8,11-13,15,17H,5-6,9-10,14H2,(H2,24,25,26);1-3,6-7,10-15H,4-5,8-9H2,(H2,23,24,25);6-9,11,14H,2-5,10H2,1H3,(H2,19,20,21);4-5,8-10,12H,2-3,6-7H2,1H3,(H2,18,19,20);6-10,12H,2-5H2,1H3,(H2,18,19,20)
• InChIKey: FYMWDJAJTORMPM-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 394.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1699.06
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 158180333) is 1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)cc1.Cc1ccc(Oc2nn(C3CCCC3)c3ncnc(N)c23)cc1.Cc1cccc(Oc2nn(C3CCCC3)c3ncnc(N)c23)c1.Nc1ncnc2c1c(Cc1ccccc1Oc1ccccc1)nn2C1CCCC1.Nc1ncnc2c1c(Oc1ccccc1Oc1ccccc1)nn2C1CCCC1.

What is the InChIKey of 1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is FYMWDJAJTORMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.C22H21N5O2.C18H21N5.2C17H19N5O/c24-22-21-19(27-28(17-9-5-6-10-17)23(21)26-15-25-22)14-16-8-4-7-13-20(16)29-18-11-2-1-3-12-18;23-20-19-21(25-14-24-20)27(15-8-4-5-9-15)26-22(19)29-18-13-7-6-12-17(18)28-16-10-2-1-3-11-16;1-12-6-8-13(9-7-12)10-15-16-17(19)20-11-21-18(16)23(22-15)14-4-2-3-5-14;1-11-5-4-8-13(9-11)23-17-14-15(18)19-10-20-16(14)22(21-17)12-6-2-3-7-12;1-11-6-8-13(9-7-11)23-17-14-15(18)19-10-20-16(14)22(21-17)12-4-2-3-5-12/h1-4,7-8,11-13,15,17H,5-6,9-10,14H2,(H2,24,25,26);1-3,6-7,10-15H,4-5,8-9H2,(H2,23,24,25);6-9,11,14H,2-5,10H2,1H3,(H2,19,20,21);4-5,8-10,12H,2-3,6-7H2,1H3,(H2,18,19,20);6-10,12H,2-5H2,1H3,(H2,18,19,20).

What are the key properties of 1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?

1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1699.06 g/mol, XLogP of 20.69, 19 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-(3-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(4-methylphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-(2-phenoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(2-phenoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158180333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).