1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-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

C76H86ClF6N25O11 — CID 159373174

About 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-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)amino]-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 159373174) has the molecular formula C76H86ClF6N25O11 and a molecular weight of 1675.13 g/mol. Its IUPAC name is 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-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)amino]-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: 159373174
• Molecular Formula: C76H86ClF6N25O11
• Molecular Weight: 1675.13 g/mol
• Exact Mass: 1673.65
• IUPAC Name: 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-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)Nc1cncc(F)c1N1CCC(C(=O)O)CC1.Nc1nn2cc(F)cnc2c1C(=O)On1nnc2ccc(Cl)cc21
• InChI: InChI=1S/C22H25F2N7O3.C18H17F2N7O3.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)25-27(16)8-10)17(28)24-12-7-22-6-11(20)14(12)26-3-1-9(2-4-26)18(29)30;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,(H2,21,25)(H,24,28)(H,29,30);8-10H,4-7,17H2,1-3H3;1-5H,(H2,16,19);8H,1-7H2
• InChIKey: LJZMEGFMEZSODH-UHFFFAOYSA-N
• XLogP: 8.68
• TPSA: 460.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 13
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1675.13
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

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)amino]-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)amino]-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 159373174) is 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-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)amino]-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)amino]-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)Nc1cncc(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)amino]-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 LJZMEGFMEZSODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O3.C18H17F2N7O3.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)25-27(16)8-10)17(28)24-12-7-22-6-11(20)14(12)26-3-1-9(2-4-26)18(29)30;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,(H2,21,25)(H,24,28)(H,29,30);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)amino]-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)amino]-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 1675.13 g/mol, XLogP of 8.68, 13 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-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 159373174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).