5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C86H87F6IN18O4 — CID 160718274

About 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 160718274) has the molecular formula C86H87F6IN18O4 and a molecular weight of 1677.66 g/mol. Its IUPAC name is 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 160718274
• Molecular Formula: C86H87F6IN18O4
• Molecular Weight: 1677.66 g/mol
• Exact Mass: 1676.61
• IUPAC Name: 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CC(C)(C)CC(=O)N1CCn2nc(-c3ccc(F)cc3)c(C(N)=O)c2C1.Fc1ccc(-c2cc3n(n2)CCCC3)cc1.Fc1ccc(-c2nn3c(c2I)CCCC3)cc1.NC(=O)c1c(-c2ccc(F)cc2)nn2c1CCCC2.NC(=O)c1c(-c2ccc(F)cc2)nn2c1CNCC2.[C-]#[N+]c1c(-c2ccc(F)cc2)nn2c1CCCC2
• InChI: InChI=1S/C19H23FN4O2.C14H14FN3O.C14H12FN3.C13H12FIN2.C13H13FN4O.C13H13FN2/c1-19(2,3)10-15(25)23-8-9-24-14(11-23)16(18(21)26)17(22-24)12-4-6-13(20)7-5-12;15-10-6-4-9(5-7-10)13-12(14(16)19)11-3-1-2-8-18(11)17-13;1-16-14-12-4-2-3-9-18(12)17-13(14)10-5-7-11(15)8-6-10;14-10-6-4-9(5-7-10)13-12(15)11-3-1-2-8-17(11)16-13;14-9-3-1-8(2-4-9)12-11(13(15)19)10-7-16-5-6-18(10)17-12;14-11-6-4-10(5-7-11)13-9-12-3-1-2-8-16(12)15-13/h4-7H,8-11H2,1-3H3,(H2,21,26);4-7H,1-3,8H2,(H2,16,19);5-8H,2-4,9H2;4-7H,1-3,8H2;1-4,16H,5-7H2,(H2,15,19);4-7,9H,1-3,8H2
• InChIKey: RSTKLUBHVWNCIY-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 272.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1677.66
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 160718274) is 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)CC(=O)N1CCn2nc(-c3ccc(F)cc3)c(C(N)=O)c2C1.Fc1ccc(-c2cc3n(n2)CCCC3)cc1.Fc1ccc(-c2nn3c(c2I)CCCC3)cc1.NC(=O)c1c(-c2ccc(F)cc2)nn2c1CCCC2.NC(=O)c1c(-c2ccc(F)cc2)nn2c1CNCC2.[C-]#[N+]c1c(-c2ccc(F)cc2)nn2c1CCCC2.

What is the InChIKey of 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is RSTKLUBHVWNCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2.C14H14FN3O.C14H12FN3.C13H12FIN2.C13H13FN4O.C13H13FN2/c1-19(2,3)10-15(25)23-8-9-24-14(11-23)16(18(21)26)17(22-24)12-4-6-13(20)7-5-12;15-10-6-4-9(5-7-10)13-12(14(16)19)11-3-1-2-8-18(11)17-13;1-16-14-12-4-2-3-9-18(12)17-13(14)10-5-7-11(15)8-6-10;14-10-6-4-9(5-7-10)13-12(15)11-3-1-2-8-17(11)16-13;14-9-3-1-8(2-4-9)12-11(13(15)19)10-7-16-5-6-18(10)17-12;14-11-6-4-10(5-7-11)13-9-12-3-1-2-8-16(12)15-13/h4-7H,8-11H2,1-3H3,(H2,21,26);4-7H,1-3,8H2,(H2,16,19);5-8H,2-4,9H2;4-7H,1-3,8H2;1-4,16H,5-7H2,(H2,15,19);4-7,9H,1-3,8H2.

What are the key properties of 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1677.66 g/mol, XLogP of 15.81, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 160718274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).