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

C24H20F2N6O2 — CID 72703999

IUPAC[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
SMILESO=C(c1cc(F)ccc1-c1ncccn1)N1CCCOC1Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C24H20F2N6O2/c25-16-3-5-18(23-27-8-1-9-28-23)19(13-16)24(33)32-10-2-12-34-22(32)15-31-11-7-21(30-31)20-6-4-17(26)14-29-20/h1,3-9,11,13-14,22H,2,10,12,15H2
InChIKeyYZRHBGIKWQSFJJ-UHFFFAOYSA-N
MW462.46 g/mol
LogP3.57
Rot. Bonds5

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

[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone (PubChem CID 72703999) has the molecular formula C24H20F2N6O2 and a molecular weight of 462.46 g/mol. Its IUPAC name is [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-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-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
PubChem CID72703999
Molecular FormulaC24H20F2N6O2
Molecular Weight462.46 g/mol
Exact Mass462.16
IUPAC Name[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
SMILESO=C(c1cc(F)ccc1-c1ncccn1)N1CCCOC1Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C24H20F2N6O2/c25-16-3-5-18(23-27-8-1-9-28-23)19(13-16)24(33)32-10-2-12-34-22(32)15-31-11-7-21(30-31)20-6-4-17(26)14-29-20/h1,3-9,11,13-14,22H,2,10,12,15H2
InChIKeyYZRHBGIKWQSFJJ-UHFFFAOYSA-N
XLogP3.57
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.57
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-oxazinan-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-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone (CID 72703999) is [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-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-oxazinan-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-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone is O=C(c1cc(F)ccc1-c1ncccn1)N1CCCOC1Cn1ccc(-c2ccc(F)cn2)n1.
What is the InChIKey of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is YZRHBGIKWQSFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O2/c25-16-3-5-18(23-27-8-1-9-28-23)19(13-16)24(33)32-10-2-12-34-22(32)15-31-11-7-21(30-31)20-6-4-17(26)14-29-20/h1,3-9,11,13-14,22H,2,10,12,15H2.
What are the key properties of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 462.46 g/mol, XLogP of 3.57, 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-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 72703999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).