2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C83H84N30O — CID 160886562

About 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 160886562) has the molecular formula C83H84N30O and a molecular weight of 1517.79 g/mol. Its IUPAC name is 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 160886562
• Molecular Formula: C83H84N30O
• Molecular Weight: 1517.79 g/mol
• Exact Mass: 1516.74
• IUPAC Name: 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21.CC(C)n1nc(-c2ccc3c(ccn3C)c2)c2c(N)ncnc21.CC(C)n1nc(-c2ccc3cc[nH]c3c2)c2c(N)ncnc21.CC(C)n1nc(-c2cccc3[nH]ccc23)c2c(N)ncnc21.Nc1ncnc2c1c(-c1cccc3[nH]ccc13)nn2C1CCCC1
• InChI: InChI=1S/C18H18N6.C17H18N6.C16H16N6O.2C16H16N6/c19-17-15-16(13-6-3-7-14-12(13)8-9-20-14)23-24(11-4-1-2-5-11)18(15)22-10-21-17;1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-4-5-13-11(8-12)6-7-22(13)3;1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12;1-9(2)22-16-13(15(17)19-8-20-16)14(21-22)11-4-3-10-5-6-18-12(10)7-11;1-9(2)22-16-13(15(17)19-8-20-16)14(21-22)11-4-3-5-12-10(11)6-7-18-12/h3,6-11,20H,1-2,4-5H2,(H2,19,21,22);4-10H,1-3H3,(H2,18,19,20);3-8,20,23H,1-2H3,(H2,17,18,19);2*3-9,18H,1-2H3,(H2,17,19,20)
• InChIKey: SNSGVSPJJUTPFT-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 436.42 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 10
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1517.79
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 160886562) is 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21.CC(C)n1nc(-c2ccc3c(ccn3C)c2)c2c(N)ncnc21.CC(C)n1nc(-c2ccc3cc[nH]c3c2)c2c(N)ncnc21.CC(C)n1nc(-c2cccc3[nH]ccc23)c2c(N)ncnc21.Nc1ncnc2c1c(-c1cccc3[nH]ccc13)nn2C1CCCC1.

What is the InChIKey of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is SNSGVSPJJUTPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6.C17H18N6.C16H16N6O.2C16H16N6/c19-17-15-16(13-6-3-7-14-12(13)8-9-20-14)23-24(11-4-1-2-5-11)18(15)22-10-21-17;1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-4-5-13-11(8-12)6-7-22(13)3;1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12;1-9(2)22-16-13(15(17)19-8-20-16)14(21-22)11-4-3-10-5-6-18-12(10)7-11;1-9(2)22-16-13(15(17)19-8-20-16)14(21-22)11-4-3-5-12-10(11)6-7-18-12/h3,6-11,20H,1-2,4-5H2,(H2,19,21,22);4-10H,1-3H3,(H2,18,19,20);3-8,20,23H,1-2H3,(H2,17,18,19);2*3-9,18H,1-2H3,(H2,17,19,20).

What are the key properties of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1517.79 g/mol, XLogP of 15.94, 10 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 160886562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).