[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone

C23H18F2N6O2 — CID 72703371

IUPAC[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
SMILESO=C(c1cc(F)ccc1-c1ncccn1)N1CCOC1Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C23H18F2N6O2/c24-15-2-4-17(22-26-7-1-8-27-22)18(12-15)23(32)31-10-11-33-21(31)14-30-9-6-20(29-30)19-5-3-16(25)13-28-19/h1-9,12-13,21H,10-11,14H2
InChIKeyLZWJHKGAHUOHTO-UHFFFAOYSA-N
MW448.43 g/mol
LogP3.18
Rot. Bonds5

About [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone

[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone (PubChem CID 72703371) has the molecular formula C23H18F2N6O2 and a molecular weight of 448.43 g/mol. Its IUPAC name is [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
PubChem CID72703371
Molecular FormulaC23H18F2N6O2
Molecular Weight448.43 g/mol
Exact Mass448.15
IUPAC Name[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
SMILESO=C(c1cc(F)ccc1-c1ncccn1)N1CCOC1Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C23H18F2N6O2/c24-15-2-4-17(22-26-7-1-8-27-22)18(12-15)23(32)31-10-11-33-21(31)14-30-9-6-20(29-30)19-5-3-16(25)13-28-19/h1-9,12-13,21H,10-11,14H2
InChIKeyLZWJHKGAHUOHTO-UHFFFAOYSA-N
XLogP3.18
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone (CID 72703371) is [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone is O=C(c1cc(F)ccc1-c1ncccn1)N1CCOC1Cn1ccc(-c2ccc(F)cn2)n1.
What is the InChIKey of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is LZWJHKGAHUOHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6O2/c24-15-2-4-17(22-26-7-1-8-27-22)18(12-15)23(32)31-10-11-33-21(31)14-30-9-6-20(29-30)19-5-3-16(25)13-28-19/h1-9,12-13,21H,10-11,14H2.
What are the key properties of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 448.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 72703371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).