4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid

C86H85BCl3N31O7 — CID 157237204

About 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid

4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid (PubChem CID 157237204) has the molecular formula C86H85BCl3N31O7 and a molecular weight of 1782.01 g/mol. Its IUPAC name is 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid.

Molecular Properties

• Compound Name: 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid
• PubChem CID: 157237204
• Molecular Formula: C86H85BCl3N31O7
• Molecular Weight: 1782.01 g/mol
• Exact Mass: 1779.64
• IUPAC Name: 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid
• SMILES: C1=COCCC1.CC1=CC(B(O)O)CCN1.Cc1cc(-c2ncnc3[nH]ncc23)ccn1.Cc1cc(-c2ncnc3c2cnn3C2CCCCO2)ccn1.Cc1cc(-c2ncnc3c2cnn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1.Clc1ncnc2[nH]ncc12.Clc1ncnc2c1cnn2C1CCCCO1.O=C(CCl)c1ccc(-c2cnccn2)cn1
• InChI: InChI=1S/C22H17N9O.C16H17N5O.C11H8ClN3O.C11H9N5.C10H11ClN4O.C6H12BNO2.C5H3ClN4.C5H8O/c1-14-8-15(4-5-24-14)21-17-10-29-31(22(17)28-13-27-21)12-20(32)30-19-3-2-16(9-26-19)18-11-23-6-7-25-18;1-11-8-12(5-6-17-11)15-13-9-20-21(16(13)19-10-18-15)14-4-2-3-7-22-14;12-5-11(16)9-2-1-8(6-15-9)10-7-13-3-4-14-10;1-7-4-8(2-3-12-7)10-9-5-15-16-11(9)14-6-13-10;11-9-7-5-14-15(10(7)13-6-12-9)8-3-1-2-4-16-8;1-5-4-6(7(9)10)2-3-8-5;6-4-3-1-9-10-5(3)8-2-7-4;1-2-4-6-5-3-1/h2-11,13H,12H2,1H3,(H,26,30,32);5-6,8-10,14H,2-4,7H2,1H3;1-4,6-7H,5H2;2-6H,1H3,(H,13,14,15,16);5-6,8H,1-4H2;4,6,8-10H,2-3H2,1H3;1-2H,(H,7,8,9,10);2,4H,1,3,5H2
• InChIKey: AUTVAJHZFNBLCD-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 482.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 13
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1782.01
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid?

The IUPAC name of 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid (CID 157237204) is 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid.

What is the SMILES notation for 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid?

The canonical SMILES for 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid is C1=COCCC1.CC1=CC(B(O)O)CCN1.Cc1cc(-c2ncnc3[nH]ncc23)ccn1.Cc1cc(-c2ncnc3c2cnn3C2CCCCO2)ccn1.Cc1cc(-c2ncnc3c2cnn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1.Clc1ncnc2[nH]ncc12.Clc1ncnc2c1cnn2C1CCCCO1.O=C(CCl)c1ccc(-c2cnccn2)cn1.

What is the InChIKey of 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid?

The InChIKey is AUTVAJHZFNBLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N9O.C16H17N5O.C11H8ClN3O.C11H9N5.C10H11ClN4O.C6H12BNO2.C5H3ClN4.C5H8O/c1-14-8-15(4-5-24-14)21-17-10-29-31(22(17)28-13-27-21)12-20(32)30-19-3-2-16(9-26-19)18-11-23-6-7-25-18;1-11-8-12(5-6-17-11)15-13-9-20-21(16(13)19-10-18-15)14-4-2-3-7-22-14;12-5-11(16)9-2-1-8(6-15-9)10-7-13-3-4-14-10;1-7-4-8(2-3-12-7)10-9-5-15-16-11(9)14-6-13-10;11-9-7-5-14-15(10(7)13-6-12-9)8-3-1-2-4-16-8;1-5-4-6(7(9)10)2-3-8-5;6-4-3-1-9-10-5(3)8-2-7-4;1-2-4-6-5-3-1/h2-11,13H,12H2,1H3,(H,26,30,32);5-6,8-10,14H,2-4,7H2,1H3;1-4,6-7H,5H2;2-6H,1H3,(H,13,14,15,16);5-6,8H,1-4H2;4,6,8-10H,2-3H2,1H3;1-2H,(H,7,8,9,10);2,4H,1,3,5H2.

What are the key properties of 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid?

4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid has a molecular weight of 1782.01 g/mol, XLogP of 13.49, 13 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-1H-pyrazolo[5,4-d]pyrimidine;3,4-dihydro-2H-pyran;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)boronic acid is sourced from PubChem (CID 157237204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).