[2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

C25H23FN6O2 — CID 72703997

IUPAC[2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2CCCOC2Cn2cc(-c3ccc(F)cc3)cn2)n1
InChIInChI=1S/C25H23FN6O2/c1-17-4-9-21(24-27-10-2-11-28-24)23(30-17)25(33)32-12-3-13-34-22(32)16-31-15-19(14-29-31)18-5-7-20(26)8-6-18/h2,4-11,14-15,22H,3,12-13,16H2,1H3
InChIKeyXZALYTFRMPIXPU-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.74
Rot. Bonds5

About [2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

[2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 72703997) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is [2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
PubChem CID72703997
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name[2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2CCCOC2Cn2cc(-c3ccc(F)cc3)cn2)n1
InChIInChI=1S/C25H23FN6O2/c1-17-4-9-21(24-27-10-2-11-28-24)23(30-17)25(33)32-12-3-13-34-22(32)16-31-15-19(14-29-31)18-5-7-20(26)8-6-18/h2,4-11,14-15,22H,3,12-13,16H2,1H3
InChIKeyXZALYTFRMPIXPU-UHFFFAOYSA-N
XLogP3.74
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The IUPAC name of [2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (CID 72703997) is [2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.
What is the SMILES notation for [2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The canonical SMILES for [2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is Cc1ccc(-c2ncccn2)c(C(=O)N2CCCOC2Cn2cc(-c3ccc(F)cc3)cn2)n1.
What is the InChIKey of [2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The InChIKey is XZALYTFRMPIXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-17-4-9-21(24-27-10-2-11-28-24)23(30-17)25(33)32-12-3-13-34-22(32)16-31-15-19(14-29-31)18-5-7-20(26)8-6-18/h2,4-11,14-15,22H,3,12-13,16H2,1H3.
What are the key properties of [2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
[2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 458.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 72703997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).