1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol

C23H24F2N6O3 — CID 90445896

IUPAC1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CC(C)O)c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C23H24F2N6O3/c1-14(32)11-30(12-15(2)33)23-18(25)10-26-22(27-23)20-9-21(19-7-8-34-29-19)31(28-20)13-16-5-3-4-6-17(16)24/h3-10,14-15,32-33H,11-13H2,1-2H3
InChIKeyPPGUHSUCYHLKMG-UHFFFAOYSA-N
MW470.48 g/mol
LogP2.89
Rot. Bonds9

About 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol

1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 90445896) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID90445896
Molecular FormulaC23H24F2N6O3
Molecular Weight470.48 g/mol
Exact Mass470.19
IUPAC Name1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CC(C)O)c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C23H24F2N6O3/c1-14(32)11-30(12-15(2)33)23-18(25)10-26-22(27-23)20-9-21(19-7-8-34-29-19)31(28-20)13-16-5-3-4-6-17(16)24/h3-10,14-15,32-33H,11-13H2,1-2H3
InChIKeyPPGUHSUCYHLKMG-UHFFFAOYSA-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 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol (CID 90445896) is 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol is CC(O)CN(CC(C)O)c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F.
What is the InChIKey of 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is PPGUHSUCYHLKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O3/c1-14(32)11-30(12-15(2)33)23-18(25)10-26-22(27-23)20-9-21(19-7-8-34-29-19)31(28-20)13-16-5-3-4-6-17(16)24/h3-10,14-15,32-33H,11-13H2,1-2H3.
What are the key properties of 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol?
1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol 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 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 90445896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).