1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C24H25FN6O2 — CID 71287386

IUPAC1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1
InChIInChI=1S/C24H25FN6O2/c25-19-8-6-17(7-9-19)20-14-21(31(28-20)24-26-10-3-11-27-24)18-4-1-12-29(15-18)23(33)16-30-13-2-5-22(30)32/h3,6-11,14,18H,1-2,4-5,12-13,15-16H2
InChIKeyBPSXCGJCPLCLEW-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 71287386) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID71287386
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1
InChIInChI=1S/C24H25FN6O2/c25-19-8-6-17(7-9-19)20-14-21(31(28-20)24-26-10-3-11-27-24)18-4-1-12-29(15-18)23(33)16-30-13-2-5-22(30)32/h3,6-11,14,18H,1-2,4-5,12-13,15-16H2
InChIKeyBPSXCGJCPLCLEW-UHFFFAOYSA-N
XLogP2.80
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 71287386) is 1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1.
What is the InChIKey of 1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is BPSXCGJCPLCLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c25-19-8-6-17(7-9-19)20-14-21(31(28-20)24-26-10-3-11-27-24)18-4-1-12-29(15-18)23(33)16-30-13-2-5-22(30)32/h3,6-11,14,18H,1-2,4-5,12-13,15-16H2.
What are the key properties of 1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 448.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 71287386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).