3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C28H28FN5O2 — CID 11092112

IUPAC3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1
InChIInChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
InChIKeyVROFQJNNYWWTGM-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.86
Rot. Bonds6

About 3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 11092112) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is 3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID11092112
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC Name3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1
InChIInChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
InChIKeyVROFQJNNYWWTGM-UHFFFAOYSA-N
XLogP4.86
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 11092112) is 3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1.
What is the InChIKey of 3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is VROFQJNNYWWTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2.
What are the key properties of 3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 485.56 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11092112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).