2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C85H104BN15O5S — CID 158091309

About 2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 158091309) has the molecular formula C85H104BN15O5S and a molecular weight of 1458.75 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-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: 2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
• PubChem CID: 158091309
• Molecular Formula: C85H104BN15O5S
• Molecular Weight: 1458.75 g/mol
• Exact Mass: 1457.82
• IUPAC Name: 2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
• SMILES: CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(C3=CCOCC3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(C3CCOCC3)nc12.CC1(C)OB(C2=CCOCC2)OC1(C)C.CSc1nc(N[C@@H]2CCC3=C(C2)c2ccccc2C3)n2ncc(C(C)C)c2n1
• InChI: InChI=1S/C26H31N5O.C26H29N5O.C22H25N5S.C11H19BO3/c2*1-16(2)23-15-27-31-25(23)29-24(17-9-11-32-12-10-17)30-26(31)28-20-8-7-19-13-18-5-3-4-6-21(18)22(19)14-20;1-13(2)19-12-23-27-20(19)25-22(28-3)26-21(27)24-16-9-8-15-10-14-6-4-5-7-17(14)18(15)11-16;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h3-6,15-17,20H,7-14H2,1-2H3,(H,28,29,30);3-6,9,15-16,20H,7-8,10-14H2,1-2H3,(H,28,29,30);4-7,12-13,16H,8-11H2,1-3H3,(H,24,25,26);5H,6-8H2,1-4H3/t2*20-;16-;/m111./s1
• InChIKey: FODDMVRPRRGCPI-SBWSBLSFSA-N
• XLogP: 17.05
• TPSA: 211.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1458.75
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-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 2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 158091309) is 2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-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 2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-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 2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(C3=CCOCC3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(C3CCOCC3)nc12.CC1(C)OB(C2=CCOCC2)OC1(C)C.CSc1nc(N[C@@H]2CCC3=C(C2)c2ccccc2C3)n2ncc(C(C)C)c2n1.

What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?

The InChIKey is FODDMVRPRRGCPI-SBWSBLSFSA-N. The full InChI is InChI=1S/C26H31N5O.C26H29N5O.C22H25N5S.C11H19BO3/c2*1-16(2)23-15-27-31-25(23)29-24(17-9-11-32-12-10-17)30-26(31)28-20-8-7-19-13-18-5-3-4-6-21(18)22(19)14-20;1-13(2)19-12-23-27-20(19)25-22(28-3)26-21(27)24-16-9-8-15-10-14-6-4-5-7-17(14)18(15)11-16;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h3-6,15-17,20H,7-14H2,1-2H3,(H,28,29,30);3-6,9,15-16,20H,7-8,10-14H2,1-2H3,(H,28,29,30);4-7,12-13,16H,8-11H2,1-3H3,(H,24,25,26);5H,6-8H2,1-4H3/t2*20-;16-;/m111./s1.

What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?

2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-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 1458.75 g/mol, XLogP of 17.05, 13 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-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 158091309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).