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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C94H91BBrF3N24O4 — CID 158128484

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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 158128484) has the molecular formula C94H91BBrF3N24O4 and a molecular weight of 1768.64 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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 158128484
• Molecular Formula: C94H91BBrF3N24O4
• Molecular Weight: 1768.64 g/mol
• Exact Mass: 1766.69
• 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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(-c4ccn[nH]4)c3n2)c1.Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(-c4ccnn4C4CCCCO4)c3n2)c1.Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(Br)c3n2)c1
• InChI: InChI=1S/C31H29FN8O.C26H21FN8.C23H18BrFN6.C14H23BN2O3/c32-22-14-21(16-33-17-22)29-37-30-26(27-10-11-34-39(27)28-7-3-4-12-41-28)18-35-40(30)31(38-29)36-23-9-8-20-13-19-5-1-2-6-24(19)25(20)15-23;27-18-10-17(12-28-13-18)24-32-25-22(23-7-8-29-34-23)14-30-35(25)26(33-24)31-19-6-5-16-9-15-3-1-2-4-20(15)21(16)11-19;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;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12/h1-2,5-6,10-11,14,16-18,23,28H,3-4,7-9,12-13,15H2,(H,36,37,38);1-4,7-8,10,12-14,19H,5-6,9,11H2,(H,29,34)(H,31,32,33);1-4,8,10-12,17H,5-7,9H2,(H,28,29,30);8-9,12H,5-7,10H2,1-4H3/t23-,28?;19-;17-;/m111./s1
• InChIKey: FSLYXWMJUFZIOH-RXHAUVINSA-N
• XLogP: 17.50
• TPSA: 305.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1768.64
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 158128484) 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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(-c4ccn[nH]4)c3n2)c1.Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(-c4ccnn4C4CCCCO4)c3n2)c1.Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(Br)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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is FSLYXWMJUFZIOH-RXHAUVINSA-N. The full InChI is InChI=1S/C31H29FN8O.C26H21FN8.C23H18BrFN6.C14H23BN2O3/c32-22-14-21(16-33-17-22)29-37-30-26(27-10-11-34-39(27)28-7-3-4-12-41-28)18-35-40(30)31(38-29)36-23-9-8-20-13-19-5-1-2-6-24(19)25(20)15-23;27-18-10-17(12-28-13-18)24-32-25-22(23-7-8-29-34-23)14-30-35(25)26(33-24)31-19-6-5-16-9-15-3-1-2-4-20(15)21(16)11-19;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;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12/h1-2,5-6,10-11,14,16-18,23,28H,3-4,7-9,12-13,15H2,(H,36,37,38);1-4,7-8,10,12-14,19H,5-6,9,11H2,(H,29,34)(H,31,32,33);1-4,8,10-12,17H,5-7,9H2,(H,28,29,30);8-9,12H,5-7,10H2,1-4H3/t23-,28?;19-;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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1768.64 g/mol, XLogP of 17.50, 14 rotatable bonds, 4 hydrogen bond donors, and 27 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;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 158128484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).