Tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C₄₅H₅₀N₁₈O₄ — CID 157064935

About Tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157064935) has the molecular formula C₄₅H₅₀N₁₈O₄ and a molecular weight of 907.02 g/mol. Its IUPAC name is tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: Tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 157064935
• Molecular Formula: C₄₅H₅₀N₁₈O₄
• Molecular Weight: 907.02 g/mol
• Exact Mass: 906.43
• IUPAC Name: tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(-n2nc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.Cc1ccc(-n2nc(N3CCNCC3)cc2NC(=O)c2cnn3cccnc23)nc1
• InChI: InChI=1S/C25H29N9O3.C20H21N9O/c1-17-6-7-19(27-15-17)34-20(29-23(35)18-16-28-33-9-5-8-26-22(18)33)14-21(30-34)31-10-12-32(13-11-31)24(36)37-25(2,3)4;1-14-3-4-16(23-12-14)29-17(11-18(26-29)27-9-6-21-7-10-27)25-20(30)15-13-24-28-8-2-5-22-19(15)28/h5-9,14-16H,10-13H2,1-4H3,(H,29,35);2-5,8,11-13,21H,6-7,9-10H2,1H3,(H,25,30)
• InChIKey: ABTNFJXAWWFKTO-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 228.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.02
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of Tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157064935) is tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for Tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for Tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.Cc1ccc(-n2nc(N3CCNCC3)cc2NC(=O)c2cnn3cccnc23)nc1.

What is the InChIKey of Tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ABTNFJXAWWFKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O3.C20H21N9O/c1-17-6-7-19(27-15-17)34-20(29-23(35)18-16-28-33-9-5-8-26-22(18)33)14-21(30-34)31-10-12-32(13-11-31)24(36)37-25(2,3)4;1-14-3-4-16(23-12-14)29-17(11-18(26-29)27-9-6-21-7-10-27)25-20(30)15-13-24-28-8-2-5-22-19(15)28/h5-9,14-16H,10-13H2,1-4H3,(H,29,35);2-5,8,11-13,21H,6-7,9-10H2,1H3,(H,25,30).

What are the key properties of Tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

Tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 907.02 g/mol, XLogP of 4.21, 8 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157064935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157064935 — identifiers, structure, computed properties (public domain)

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