N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol

C72H91N25O5 — CID 157150179

About N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol

N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol (PubChem CID 157150179) has the molecular formula C72H91N25O5 and a molecular weight of 1386.69 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol.

Molecular Properties

• Compound Name: N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol
• PubChem CID: 157150179
• Molecular Formula: C72H91N25O5
• Molecular Weight: 1386.69 g/mol
• Exact Mass: 1385.76
• IUPAC Name: N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol
• SMILES: CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)C(=O)N(C)C)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCN(C(C)=O)CC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCNCC4)c3)cn3nccc23)cn1
• InChI: InChI=1S/C25H32N8O2.C24H29N9O2.C23H30N8O/c1-4-21(5-2)32-15-20(13-28-32)24-23-6-9-26-33(23)16-22(29-24)19-12-27-31(14-19)17-25(35)7-10-30(11-8-25)18(3)34;1-5-18(6-2)31-12-17(10-27-31)22-21-7-8-25-33(21)15-20(28-22)16-9-26-32(11-16)19-13-30(14-19)24(35)23(34)29(3)4;1-3-19(4-2)30-14-18(12-27-30)22-21-5-8-25-31(21)15-20(28-22)17-11-26-29(13-17)16-23(32)6-9-24-10-7-23/h6,9,12-16,21,35H,4-5,7-8,10-11,17H2,1-3H3;7-12,15,18-19H,5-6,13-14H2,1-4H3;5,8,11-15,19,24,32H,3-4,6-7,9-10,16H2,1-2H3
• InChIKey: ALDYLVNRSRDQAY-UHFFFAOYSA-N
• XLogP: 8.41
• TPSA: 310.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1386.69
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol?

The IUPAC name of N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol (CID 157150179) is N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol.

What is the SMILES notation for N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol?

The canonical SMILES for N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol is CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)C(=O)N(C)C)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCN(C(C)=O)CC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCNCC4)c3)cn3nccc23)cn1.

What is the InChIKey of N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol?

The InChIKey is ALDYLVNRSRDQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O2.C24H29N9O2.C23H30N8O/c1-4-21(5-2)32-15-20(13-28-32)24-23-6-9-26-33(23)16-22(29-24)19-12-27-31(14-19)17-25(35)7-10-30(11-8-25)18(3)34;1-5-18(6-2)31-12-17(10-27-31)22-21-7-8-25-33(21)15-20(28-22)16-9-26-32(11-16)19-13-30(14-19)24(35)23(34)29(3)4;1-3-19(4-2)30-14-18(12-27-30)22-21-5-8-25-31(21)15-20(28-22)17-11-26-29(13-17)16-23(32)6-9-24-10-7-23/h6,9,12-16,21,35H,4-5,7-8,10-11,17H2,1-3H3;7-12,15,18-19H,5-6,13-14H2,1-4H3;5,8,11-15,19,24,32H,3-4,6-7,9-10,16H2,1-2H3.

What are the key properties of N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol?

N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol has a molecular weight of 1386.69 g/mol, XLogP of 8.41, 20 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-oxo-2-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]acetamide;1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 157150179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).