2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride

C136H149Cl2F12IN49O20- — CID 159073652

About 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride

2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride (PubChem CID 159073652) has the molecular formula C136H149Cl2F12IN49O20- and a molecular weight of 3215.80 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride
• PubChem CID: 159073652
• Molecular Formula: C136H149Cl2F12IN49O20-
• Molecular Weight: 3215.80 g/mol
• Exact Mass: 3213.04
• IUPAC Name: 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride
• SMILES: C1CN(C2COC2)CCN1.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.Cl.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)O)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)O)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)O)CC1.Nc1nn2cc(F)cnc2c1C(=O)On1nnc2ccc(Cl)cc21.[I-]
• InChI: InChI=1S/C25H29F2N9O3.C22H25F2N7O3.3C18H17F2N7O3.C15H22FN3O2.C13H7ClFN7O2.C7H14N2O.ClH.HI/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17;1-22(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;3*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;1-3-9(4-2-8-1)7-5-10-6-7;;/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37);8-12H,4-7H2,1-3H3,(H2,25,29)(H,28,32);3*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);7-8H,1-6H2;2*1H/p-1
• InChIKey: QJTJWLIHDPTKQR-UHFFFAOYSA-M
• XLogP: 8.60
• TPSA: 884.35 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 60
• Rotatable Bonds: 26
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3215.80
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride?

The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride (CID 159073652) is 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride.

What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride?

The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride is C1CN(C2COC2)CCN1.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.Cl.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)O)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)O)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)O)CC1.Nc1nn2cc(F)cnc2c1C(=O)On1nnc2ccc(Cl)cc21.[I-].

What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride?

The InChIKey is QJTJWLIHDPTKQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H29F2N9O3.C22H25F2N7O3.3C18H17F2N7O3.C15H22FN3O2.C13H7ClFN7O2.C7H14N2O.ClH.HI/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17;1-22(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;3*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;1-3-9(4-2-8-1)7-5-10-6-7;;/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37);8-12H,4-7H2,1-3H3,(H2,25,29)(H,28,32);3*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);7-8H,1-6H2;2*1H/p-1.

What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride?

2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride has a molecular weight of 3215.80 g/mol, XLogP of 8.60, 26 rotatable bonds, 16 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;tris(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)piperazine;iodide;hydrochloride is sourced from PubChem (CID 159073652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).