8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C93H95BBrF3N18O2 — CID 159133319

About 8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 159133319) has the molecular formula C93H95BBrF3N18O2 and a molecular weight of 1644.62 g/mol. Its IUPAC name is 8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

• Compound Name: 8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
• PubChem CID: 159133319
• Molecular Formula: C93H95BBrF3N18O2
• Molecular Weight: 1644.62 g/mol
• Exact Mass: 1642.71
• IUPAC Name: 8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
• SMILES: CC1(C)OB(C2=CCCCC2)OC1(C)C.Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(Br)c3n2)c1.Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(C4=CCCCC4)c3n2)c1.Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(C4CCCCC4)c3n2)c1
• InChI: InChI=1S/C29H29FN6.C29H27FN6.C23H18BrFN6.C12H21BO2/c2*30-22-13-21(15-31-16-22)27-34-28-26(18-6-2-1-3-7-18)17-32-36(28)29(35-27)33-23-11-10-20-12-19-8-4-5-9-24(19)25(20)14-23;24-20-12-27-31-22(20)29-21(15-8-16(25)11-26-10-15)30-23(31)28-17-6-5-14-7-13-3-1-2-4-18(13)19(14)9-17;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h4-5,8-9,13,15-18,23H,1-3,6-7,10-12,14H2,(H,33,34,35);4-6,8-9,13,15-17,23H,1-3,7,10-12,14H2,(H,33,34,35);1-4,8,10-12,17H,5-7,9H2,(H,28,29,30);8H,5-7,9H2,1-4H3/t2*23-;17-;/m111./s1
• InChIKey: KHDZEFICLCWLBF-YDQXESFZSA-N
• XLogP: 20.78
• TPSA: 222.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1644.62
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?

The IUPAC name of 8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 159133319) is 8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

What is the SMILES notation for 8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?

The canonical SMILES for 8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC1(C)OB(C2=CCCCC2)OC1(C)C.Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(Br)c3n2)c1.Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(C4=CCCCC4)c3n2)c1.Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(C4CCCCC4)c3n2)c1.

What is the InChIKey of 8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?

The InChIKey is KHDZEFICLCWLBF-YDQXESFZSA-N. The full InChI is InChI=1S/C29H29FN6.C29H27FN6.C23H18BrFN6.C12H21BO2/c2*30-22-13-21(15-31-16-22)27-34-28-26(18-6-2-1-3-7-18)17-32-36(28)29(35-27)33-23-11-10-20-12-19-8-4-5-9-24(19)25(20)14-23;24-20-12-27-31-22(20)29-21(15-8-16(25)11-26-10-15)30-23(31)28-17-6-5-14-7-13-3-1-2-4-18(13)19(14)9-17;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h4-5,8-9,13,15-18,23H,1-3,6-7,10-12,14H2,(H,33,34,35);4-6,8-9,13,15-17,23H,1-3,7,10-12,14H2,(H,33,34,35);1-4,8,10-12,17H,5-7,9H2,(H,28,29,30);8H,5-7,9H2,1-4H3/t2*23-;17-;/m111./s1.

What are the key properties of 8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?

8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 1644.62 g/mol, XLogP of 20.78, 12 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(cyclohexen-1-yl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-cyclohexyl-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 159133319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).