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

C23H24F2N6O3 — CID 86269785

IUPAC(2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol
SMILESCC(C)N(C[C@H](O)CO)c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C23H24F2N6O3/c1-14(2)30(12-16(33)13-32)23-18(25)10-26-22(27-23)20-9-21(19-7-8-34-29-19)31(28-20)11-15-5-3-4-6-17(15)24/h3-10,14,16,32-33H,11-13H2,1-2H3/t16-/m0/s1
InChIKeyUCTHZTBNDZAVEL-INIZCTEOSA-N
MW470.48 g/mol
LogP2.89
Rot. Bonds9

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

(2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol (PubChem CID 86269785) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is (2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol
PubChem CID86269785
Molecular FormulaC23H24F2N6O3
Molecular Weight470.48 g/mol
Exact Mass470.19
IUPAC Name(2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol
SMILESCC(C)N(C[C@H](O)CO)c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C23H24F2N6O3/c1-14(2)30(12-16(33)13-32)23-18(25)10-26-22(27-23)20-9-21(19-7-8-34-29-19)31(28-20)11-15-5-3-4-6-17(15)24/h3-10,14,16,32-33H,11-13H2,1-2H3/t16-/m0/s1
InChIKeyUCTHZTBNDZAVEL-INIZCTEOSA-N
XLogP2.89
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol?
The IUPAC name of (2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol (CID 86269785) is (2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol is CC(C)N(C[C@H](O)CO)c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F.
What is the InChIKey of (2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol?
The InChIKey is UCTHZTBNDZAVEL-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24F2N6O3/c1-14(2)30(12-16(33)13-32)23-18(25)10-26-22(27-23)20-9-21(19-7-8-34-29-19)31(28-20)11-15-5-3-4-6-17(15)24/h3-10,14,16,32-33H,11-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol?
(2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol has a molecular weight of 470.48 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-propan-2-ylamino]propane-1,2-diol is sourced from PubChem (CID 86269785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).