1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine

C76H85ClF6N24O12 — CID 159446774

About 1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine

1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine (PubChem CID 159446774) has the molecular formula C76H85ClF6N24O12 and a molecular weight of 1676.11 g/mol. Its IUPAC name is 1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine.

Molecular Properties

• Compound Name: 1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine
• PubChem CID: 159446774
• Molecular Formula: C76H85ClF6N24O12
• Molecular Weight: 1676.11 g/mol
• Exact Mass: 1674.64
• IUPAC Name: 1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine
• SMILES: C1CCN(C2COC2)CC1.CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.CC(C)(C)OC(=O)C1CCN(c2c(N)cncc2F)CC1.Nc1nn2cc(F)cnc2c1C(=O)Oc1cncc(F)c1N1CCC(C(=O)O)CC1.Nc1nn2cc(F)cnc2c1C(=O)On1nnc2ccc(Cl)cc21
• InChI: InChI=1S/C22H25F2N7O3.C18H16F2N6O4.C15H22FN3O2.C13H7ClFN7O2.C8H15NO/c1-22(2,3)34-21(33)12-4-6-30(7-5-12)17-14(24)9-26-10-15(17)28-20(32)16-18(25)29-31-11-13(23)8-27-19(16)31;19-10-5-23-16-13(15(21)24-26(16)8-10)18(29)30-12-7-22-6-11(20)14(12)25-3-1-9(2-4-25)17(27)28;1-15(2,3)21-14(20)10-4-6-19(7-5-10)13-11(16)8-18-9-12(13)17;14-6-1-2-8-9(3-6)22(20-18-8)24-13(23)10-11(16)19-21-5-7(15)4-17-12(10)21;1-2-4-9(5-3-1)8-6-10-7-8/h8-12H,4-7H2,1-3H3,(H2,25,29)(H,28,32);5-9H,1-4H2,(H2,21,24)(H,27,28);8-10H,4-7,17H2,1-3H3;1-5H,(H2,16,19);8H,1-7H2
• InChIKey: LSVXZFGDVPBMJJ-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 457.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 13
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1676.11
LogP ≤ 5	8.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine?

The IUPAC name of 1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine (CID 159446774) is 1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine.

What is the SMILES notation for 1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine?

The canonical SMILES for 1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine is C1CCN(C2COC2)CC1.CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.CC(C)(C)OC(=O)C1CCN(c2c(N)cncc2F)CC1.Nc1nn2cc(F)cnc2c1C(=O)Oc1cncc(F)c1N1CCC(C(=O)O)CC1.Nc1nn2cc(F)cnc2c1C(=O)On1nnc2ccc(Cl)cc21.

What is the InChIKey of 1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine?

The InChIKey is LSVXZFGDVPBMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O3.C18H16F2N6O4.C15H22FN3O2.C13H7ClFN7O2.C8H15NO/c1-22(2,3)34-21(33)12-4-6-30(7-5-12)17-14(24)9-26-10-15(17)28-20(32)16-18(25)29-31-11-13(23)8-27-19(16)31;19-10-5-23-16-13(15(21)24-26(16)8-10)18(29)30-12-7-22-6-11(20)14(12)25-3-1-9(2-4-25)17(27)28;1-15(2,3)21-14(20)10-4-6-19(7-5-10)13-11(16)8-18-9-12(13)17;14-6-1-2-8-9(3-6)22(20-18-8)24-13(23)10-11(16)19-21-5-7(15)4-17-12(10)21;1-2-4-9(5-3-1)8-6-10-7-8/h8-12H,4-7H2,1-3H3,(H2,25,29)(H,28,32);5-9H,1-4H2,(H2,21,24)(H,27,28);8-10H,4-7,17H2,1-3H3;1-5H,(H2,16,19);8H,1-7H2.

What are the key properties of 1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine?

1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine has a molecular weight of 1676.11 g/mol, XLogP of 8.65, 13 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)oxy-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid;tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 159446774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).