4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C89H84BCl3N28O7 — CID 159043174

About 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 159043174) has the molecular formula C89H84BCl3N28O7 and a molecular weight of 1775.01 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-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

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-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
• PubChem CID: 159043174
• Molecular Formula: C89H84BCl3N28O7
• Molecular Weight: 1775.01 g/mol
• Exact Mass: 1772.62
• 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-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
• SMILES: C1=COCCC1.Cc1cc(-c2ncnc3[nH]ccc23)ccn1.Cc1cc(-c2ncnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1.Cc1cc(-c2ncnc3c2cnn3C2CCCCO2)ccn1.Cc1cc(B(O)O)ccn1.Clc1ncnc2[nH]ccc12.Clc1ncnc2c1cnn2C1CCCCO1.O=C(CCl)c1ccc(-c2cnccn2)cn1
• InChI: InChI=1S/C23H18N8O.C16H17N5O.C12H10N4.C11H8ClN3O.C10H11ClN4O.C6H8BNO2.C6H4ClN3.C5H8O/c1-15-10-16(4-6-25-15)22-18-5-9-31(23(18)29-14-28-22)13-21(32)30-20-3-2-17(11-27-20)19-12-24-7-8-26-19;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;1-8-6-9(2-4-13-8)11-10-3-5-14-12(10)16-7-15-11;12-5-11(16)9-2-1-8(6-15-9)10-7-13-3-4-14-10;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;7-5-4-1-2-8-6(4)10-3-9-5;1-2-4-6-5-3-1/h2-12,14H,13H2,1H3,(H,27,30,32);5-6,8-10,14H,2-4,7H2,1H3;2-7H,1H3,(H,14,15,16);1-4,6-7H,5H2;5-6,8H,1-4H2;2-4,9-10H,1H3;1-3H,(H,8,9,10);2,4H,1,3,5H2
• InChIKey: JWIGTUWNKYGRQF-UHFFFAOYSA-N
• XLogP: 14.65
• TPSA: 444.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 13
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1775.01
LogP ≤ 5	14.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

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-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

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-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 159043174) is 4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

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-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

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-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is C1=COCCC1.Cc1cc(-c2ncnc3[nH]ccc23)ccn1.Cc1cc(-c2ncnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1.Cc1cc(-c2ncnc3c2cnn3C2CCCCO2)ccn1.Cc1cc(B(O)O)ccn1.Clc1ncnc2[nH]ccc12.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-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

The InChIKey is JWIGTUWNKYGRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O.C16H17N5O.C12H10N4.C11H8ClN3O.C10H11ClN4O.C6H8BNO2.C6H4ClN3.C5H8O/c1-15-10-16(4-6-25-15)22-18-5-9-31(23(18)29-14-28-22)13-21(32)30-20-3-2-17(11-27-20)19-12-24-7-8-26-19;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;1-8-6-9(2-4-13-8)11-10-3-5-14-12(10)16-7-15-11;12-5-11(16)9-2-1-8(6-15-9)10-7-13-3-4-14-10;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;7-5-4-1-2-8-6(4)10-3-9-5;1-2-4-6-5-3-1/h2-12,14H,13H2,1H3,(H,27,30,32);5-6,8-10,14H,2-4,7H2,1H3;2-7H,1H3,(H,14,15,16);1-4,6-7H,5H2;5-6,8H,1-4H2;2-4,9-10H,1H3;1-3H,(H,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-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;2-chloro-1-(5-pyrazin-2-yl-2-pyridinyl)ethanone;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 1775.01 g/mol, XLogP of 14.65, 13 rotatable bonds, 5 hydrogen bond donors, and 32 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-7H-pyrrolo[2,3-d]pyrimidine;3,4-dihydro-2H-pyran;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine;4-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 159043174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).