2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone

C89H110N34O5S — CID 159404294

About 2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone

2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone (PubChem CID 159404294) has the molecular formula C89H110N34O5S and a molecular weight of 1768.16 g/mol. Its IUPAC name is 2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone
• PubChem CID: 159404294
• Molecular Formula: C89H110N34O5S
• Molecular Weight: 1768.16 g/mol
• Exact Mass: 1766.91
• IUPAC Name: 2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone
• SMILES: CCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(=O)CN)CC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)NC)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(C)=O)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(S(C)(=O)=O)C4)c3)cn3nccc23)cn1
• InChI: InChI=1S/C24H31N9O.C22H27N9O.C22H26N8O.C21H26N8O2S/c1-3-19(4-2)31-15-18(13-28-31)24-22-5-8-26-33(22)16-21(29-24)17-12-27-32(14-17)20-6-9-30(10-7-20)23(34)11-25;1-4-17(5-2)29-11-16(9-26-29)21-20-6-7-24-31(20)14-19(27-21)15-8-25-30(10-15)18-12-28(13-18)22(32)23-3;1-4-18(5-2)28-11-17(9-25-28)22-21-6-7-23-30(21)14-20(26-22)16-8-24-29(10-16)19-12-27(13-19)15(3)31;1-4-17(5-2)27-11-16(9-24-27)21-20-6-7-22-29(20)14-19(25-21)15-8-23-28(10-15)18-12-26(13-18)32(3,30)31/h5,8,12-16,19-20H,3-4,6-7,9-11,25H2,1-2H3;6-11,14,17-18H,4-5,12-13H2,1-3H3,(H,23,32);6-11,14,18-19H,4-5,12-13H2,1-3H3;6-11,14,17-18H,4-5,12-13H2,1-3H3
• InChIKey: LNTDMPHUYBNIMD-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 399.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1768.16
LogP ≤ 5	11.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?

The IUPAC name of 2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone (CID 159404294) is 2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone.

What is the SMILES notation for 2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?

The canonical SMILES for 2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone is CCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(=O)CN)CC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)NC)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(C)=O)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(S(C)(=O)=O)C4)c3)cn3nccc23)cn1.

What is the InChIKey of 2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?

The InChIKey is LNTDMPHUYBNIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9O.C22H27N9O.C22H26N8O.C21H26N8O2S/c1-3-19(4-2)31-15-18(13-28-31)24-22-5-8-26-33(22)16-21(29-24)17-12-27-32(14-17)20-6-9-30(10-7-20)23(34)11-25;1-4-17(5-2)29-11-16(9-26-29)21-20-6-7-24-31(20)14-19(27-21)15-8-25-30(10-15)18-12-28(13-18)22(32)23-3;1-4-18(5-2)28-11-17(9-25-28)22-21-6-7-23-30(21)14-20(26-22)16-8-24-29(10-16)19-12-27(13-19)15(3)31;1-4-17(5-2)27-11-16(9-24-27)21-20-6-7-22-29(20)14-19(25-21)15-8-23-28(10-15)18-12-26(13-18)32(3,30)31/h5,8,12-16,19-20H,3-4,6-7,9-11,25H2,1-2H3;6-11,14,17-18H,4-5,12-13H2,1-3H3,(H,23,32);6-11,14,18-19H,4-5,12-13H2,1-3H3;6-11,14,17-18H,4-5,12-13H2,1-3H3.

What are the key properties of 2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?

2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone has a molecular weight of 1768.16 g/mol, XLogP of 11.81, 26 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;6-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 159404294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).