1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one

C33H25F6N3O2 — CID 172517299

About 1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one

1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one (PubChem CID 172517299) has the molecular formula C33H25F6N3O2 and a molecular weight of 609.57 g/mol. Its IUPAC name is 1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
• PubChem CID: 172517299
• Molecular Formula: C33H25F6N3O2
• Molecular Weight: 609.57 g/mol
• Exact Mass: 609.19
• IUPAC Name: 1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
• SMILES: O=C1CCCN1c1cc(-c2ccc(-c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)nc3)cc2)cc(N2CCCC2=O)c1
• InChI: InChI=1S/C33H25F6N3O2/c34-32(35,36)25-13-24(14-26(17-25)33(37,38)39)29-10-9-22(19-40-29)20-5-7-21(8-6-20)23-15-27(41-11-1-3-30(41)43)18-28(16-23)42-12-2-4-31(42)44/h5-10,13-19H,1-4,11-12H2
• InChIKey: AMQXCFNSPYFKMJ-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 53.51 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.57
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?

The IUPAC name of 1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one (CID 172517299) is 1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?

The canonical SMILES for 1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1cc(-c2ccc(-c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)nc3)cc2)cc(N2CCCC2=O)c1.

What is the InChIKey of 1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?

The InChIKey is AMQXCFNSPYFKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F6N3O2/c34-32(35,36)25-13-24(14-26(17-25)33(37,38)39)29-10-9-22(19-40-29)20-5-7-21(8-6-20)23-15-27(41-11-1-3-30(41)43)18-28(16-23)42-12-2-4-31(42)44/h5-10,13-19H,1-4,11-12H2.

What are the key properties of 1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?

1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one has a molecular weight of 609.57 g/mol, XLogP of 8.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 172517299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).