1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one

C24H30F2N4O2 — CID 169094676

IUPAC1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2cc(F)c(-c3cnn(C4CCCCO4)c3)cc2F)CC1
InChIInChI=1S/C24H30F2N4O2/c25-20-13-22(28-9-6-17(7-10-28)15-29-8-3-4-23(29)31)21(26)12-19(20)18-14-27-30(16-18)24-5-1-2-11-32-24/h12-14,16-17,24H,1-11,15H2
InChIKeyQPHQQDGPXSMDAH-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.37
Rot. Bonds5

About 1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 169094676) has the molecular formula C24H30F2N4O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID169094676
Molecular FormulaC24H30F2N4O2
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Name1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2cc(F)c(-c3cnn(C4CCCCO4)c3)cc2F)CC1
InChIInChI=1S/C24H30F2N4O2/c25-20-13-22(28-9-6-17(7-10-28)15-29-8-3-4-23(29)31)21(26)12-19(20)18-14-27-30(16-18)24-5-1-2-11-32-24/h12-14,16-17,24H,1-11,15H2
InChIKeyQPHQQDGPXSMDAH-UHFFFAOYSA-N
XLogP4.37
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 169094676) is 1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCN(c2cc(F)c(-c3cnn(C4CCCCO4)c3)cc2F)CC1.
What is the InChIKey of 1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is QPHQQDGPXSMDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N4O2/c25-20-13-22(28-9-6-17(7-10-28)15-29-8-3-4-23(29)31)21(26)12-19(20)18-14-27-30(16-18)24-5-1-2-11-32-24/h12-14,16-17,24H,1-11,15H2.
What are the key properties of 1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 444.53 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 169094676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).