[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone

C25H25FN6O2 — CID 71287389

IUPAC[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCC(C)c1oncc1C(=O)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1
InChIInChI=1S/C25H25FN6O2/c1-16(2)23-20(14-29-34-23)24(33)31-12-3-5-18(15-31)22-13-21(17-6-8-19(26)9-7-17)30-32(22)25-27-10-4-11-28-25/h4,6-11,13-14,16,18H,3,5,12,15H2,1-2H3
InChIKeyNGYBJTHNGIKITH-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.60
Rot. Bonds5

About [3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone

[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 71287389) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID71287389
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC Name[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCC(C)c1oncc1C(=O)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1
InChIInChI=1S/C25H25FN6O2/c1-16(2)23-20(14-29-34-23)24(33)31-12-3-5-18(15-31)22-13-21(17-6-8-19(26)9-7-17)30-32(22)25-27-10-4-11-28-25/h4,6-11,13-14,16,18H,3,5,12,15H2,1-2H3
InChIKeyNGYBJTHNGIKITH-UHFFFAOYSA-N
XLogP4.60
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 71287389) is [3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone is CC(C)c1oncc1C(=O)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1.
What is the InChIKey of [3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is NGYBJTHNGIKITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-16(2)23-20(14-29-34-23)24(33)31-12-3-5-18(15-31)22-13-21(17-6-8-19(26)9-7-17)30-32(22)25-27-10-4-11-28-25/h4,6-11,13-14,16,18H,3,5,12,15H2,1-2H3.
What are the key properties of [3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone?
[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 460.51 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 71287389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).