2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine

C28H26FN5O — CID 165078654

About 2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine

2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine (PubChem CID 165078654) has the molecular formula C28H26FN5O and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

• Compound Name: 2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine
• PubChem CID: 165078654
• Molecular Formula: C28H26FN5O
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.21
• IUPAC Name: 2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine
• SMILES: C=C(COC)c1cnn2c(C[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
• InChI: InChI=1S/C28H26FN5O/c1-17(16-35-2)25-15-31-34-26(32-27(33-28(25)34)21-12-22(29)14-30-13-21)10-18-7-8-20-11-19-5-3-4-6-23(19)24(20)9-18/h3-6,12-15,18H,1,7-11,16H2,2H3/t18-/m1/s1
• InChIKey: UTDGTODDUKLXQS-GOSISDBHSA-N
• XLogP: 5.34
• TPSA: 65.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine?

The IUPAC name of 2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine (CID 165078654) is 2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine.

What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine?

The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine is C=C(COC)c1cnn2c(C[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.

What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine?

The InChIKey is UTDGTODDUKLXQS-GOSISDBHSA-N. The full InChI is InChI=1S/C28H26FN5O/c1-17(16-35-2)25-15-31-34-26(32-27(33-28(25)34)21-12-22(29)14-30-13-21)10-18-7-8-20-11-19-5-3-4-6-23(19)24(20)9-18/h3-6,12-15,18H,1,7-11,16H2,2H3/t18-/m1/s1.

What are the key properties of 2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine?

2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 467.55 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 165078654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).