cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine

C24H24F2N6O3 — CID 144707681

About cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine

cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 144707681) has the molecular formula C24H24F2N6O3 and a molecular weight of 482.49 g/mol. Its IUPAC name is cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
• PubChem CID: 144707681
• Molecular Formula: C24H24F2N6O3
• Molecular Weight: 482.49 g/mol
• Exact Mass: 482.19
• IUPAC Name: cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
• SMILES: Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F.O=C(O)C1CCCCC1
• InChI: InChI=1S/C17H12F2N6O.C7H12O2/c18-11-4-2-1-3-10(11)9-25-15(13-5-6-26-24-13)7-14(23-25)17-21-8-12(19)16(20)22-17;8-7(9)6-4-2-1-3-5-6/h1-8H,9H2,(H2,20,21,22);6H,1-5H2,(H,8,9)
• InChIKey: ZCSBBIVCXJYWFR-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 132.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.49
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine?

The IUPAC name of cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine (CID 144707681) is cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine.

What is the SMILES notation for cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine?

The canonical SMILES for cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine is Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F.O=C(O)C1CCCCC1.

What is the InChIKey of cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine?

The InChIKey is ZCSBBIVCXJYWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N6O.C7H12O2/c18-11-4-2-1-3-10(11)9-25-15(13-5-6-26-24-13)7-14(23-25)17-21-8-12(19)16(20)22-17;8-7(9)6-4-2-1-3-5-6/h1-8H,9H2,(H2,20,21,22);6H,1-5H2,(H,8,9).

What are the key properties of cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine?

cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 482.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 144707681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).