2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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

C51H56ClF5N18O8 — CID 161137783

About 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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

2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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 (PubChem CID 161137783) has the molecular formula C51H56ClF5N18O8 and a molecular weight of 1179.57 g/mol. Its IUPAC name is 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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.

Molecular Properties

• Compound Name: 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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
• PubChem CID: 161137783
• Molecular Formula: C51H56ClF5N18O8
• Molecular Weight: 1179.57 g/mol
• Exact Mass: 1178.41
• IUPAC Name: 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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
• SMILES: 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)Cl.Nc1nn2cc(F)cnc2c1C(=O)O
• InChI: InChI=1S/C22H25F2N7O3.C15H22FN3O2.C7H4ClFN4O.C7H5FN4O2/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;1-15(2,3)21-14(20)10-4-6-19(7-5-10)13-11(16)8-18-9-12(13)17;8-5(14)4-6(10)12-13-2-3(9)1-11-7(4)13;8-3-1-10-6-4(7(13)14)5(9)11-12(6)2-3/h8-12H,4-7H2,1-3H3,(H2,25,29)(H,28,32);8-10H,4-7,17H2,1-3H3;1-2H,(H2,10,12);1-2H,(H2,9,11)(H,13,14)
• InChIKey: UNAISNROGVRMBG-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 362.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1179.57
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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?

The IUPAC name of 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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 (CID 161137783) is 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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.

What is the SMILES notation for 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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?

The canonical SMILES for 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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 is 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)Cl.Nc1nn2cc(F)cnc2c1C(=O)O.

What is the InChIKey of 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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?

The InChIKey is UNAISNROGVRMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O3.C15H22FN3O2.C7H4ClFN4O.C7H5FN4O2/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;1-15(2,3)21-14(20)10-4-6-19(7-5-10)13-11(16)8-18-9-12(13)17;8-5(14)4-6(10)12-13-2-3(9)1-11-7(4)13;8-3-1-10-6-4(7(13)14)5(9)11-12(6)2-3/h8-12H,4-7H2,1-3H3,(H2,25,29)(H,28,32);8-10H,4-7,17H2,1-3H3;1-2H,(H2,10,12);1-2H,(H2,9,11)(H,13,14).

What are the key properties of 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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?

2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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 has a molecular weight of 1179.57 g/mol, XLogP of 6.13, 8 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-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 is sourced from PubChem (CID 161137783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).