(2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol

C24H24F2N6O3 — CID 86269786

About (2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol

(2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol (PubChem CID 86269786) has the molecular formula C24H24F2N6O3 and a molecular weight of 482.49 g/mol. Its IUPAC name is (2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol.

Molecular Properties

• Compound Name: (2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol
• PubChem CID: 86269786
• Molecular Formula: C24H24F2N6O3
• Molecular Weight: 482.49 g/mol
• Exact Mass: 482.19
• IUPAC Name: (2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol
• SMILES: OC[C@@H](O)CN(CC1CC1)c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F
• InChI: InChI=1S/C24H24F2N6O3/c25-18-4-2-1-3-16(18)12-32-22(20-7-8-35-30-20)9-21(29-32)23-27-10-19(26)24(28-23)31(11-15-5-6-15)13-17(34)14-33/h1-4,7-10,15,17,33-34H,5-6,11-14H2/t17-/m0/s1
• InChIKey: HXSRDAAQSXPXJK-KRWDZBQOSA-N
• XLogP: 2.89
• TPSA: 113.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.49
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol?

The IUPAC name of (2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol (CID 86269786) is (2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol.

What is the SMILES notation for (2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol?

The canonical SMILES for (2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol is OC[C@@H](O)CN(CC1CC1)c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F.

What is the InChIKey of (2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol?

The InChIKey is HXSRDAAQSXPXJK-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24F2N6O3/c25-18-4-2-1-3-16(18)12-32-22(20-7-8-35-30-20)9-21(29-32)23-27-10-19(26)24(28-23)31(11-15-5-6-15)13-17(34)14-33/h1-4,7-10,15,17,33-34H,5-6,11-14H2/t17-/m0/s1.

What are the key properties of (2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol?

(2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol has a molecular weight of 482.49 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 86269786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).