5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine

C25H21F2N5 — CID 158678850

About 5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine

5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158678850) has the molecular formula C25H21F2N5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158678850
• Molecular Formula: C25H21F2N5
• Molecular Weight: 429.47 g/mol
• Exact Mass: 429.18
• IUPAC Name: 5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1cnn2c(NC3CCC4=C(C3)c3cccc(F)c3C4)cc(-c3cncc(F)c3)nc12
• InChI: InChI=1S/C25H21F2N5/c1-14-11-29-32-24(10-23(31-25(14)32)16-7-17(26)13-28-12-16)30-18-6-5-15-8-21-19(20(15)9-18)3-2-4-22(21)27/h2-4,7,10-13,18,30H,5-6,8-9H2,1H3
• InChIKey: ONLHGRNFAYRWRF-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 55.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.47
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158678850) is 5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cnn2c(NC3CCC4=C(C3)c3cccc(F)c3C4)cc(-c3cncc(F)c3)nc12.

What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is ONLHGRNFAYRWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5/c1-14-11-29-32-24(10-23(31-25(14)32)16-7-17(26)13-28-12-16)30-18-6-5-15-8-21-19(20(15)9-18)3-2-4-22(21)27/h2-4,7,10-13,18,30H,5-6,8-9H2,1H3.

What are the key properties of 5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?

5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 429.47 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158678850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).