3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione

C26H28ClFN4O3 — CID 45171591

IUPAC3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C(CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C26H28ClFN4O3/c27-19-8-9-22(29-17-19)30-10-12-31(13-11-30)23(33)15-26(18-4-3-5-20(28)14-18)16-24(34)32(25(26)35)21-6-1-2-7-21/h3-5,8-9,14,17,21H,1-2,6-7,10-13,15-16H2
InChIKeyFUWXXBXSFJQWHQ-UHFFFAOYSA-N
MW498.99 g/mol
LogP3.55
Rot. Bonds5

About 3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione

3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 45171591) has the molecular formula C26H28ClFN4O3 and a molecular weight of 498.99 g/mol. Its IUPAC name is 3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID45171591
Molecular FormulaC26H28ClFN4O3
Molecular Weight498.99 g/mol
Exact Mass498.18
IUPAC Name3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C(CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C26H28ClFN4O3/c27-19-8-9-22(29-17-19)30-10-12-31(13-11-30)23(33)15-26(18-4-3-5-20(28)14-18)16-24(34)32(25(26)35)21-6-1-2-7-21/h3-5,8-9,14,17,21H,1-2,6-7,10-13,15-16H2
InChIKeyFUWXXBXSFJQWHQ-UHFFFAOYSA-N
XLogP3.55
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.99
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione (CID 45171591) is 3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione is O=C(CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is FUWXXBXSFJQWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN4O3/c27-19-8-9-22(29-17-19)30-10-12-31(13-11-30)23(33)15-26(18-4-3-5-20(28)14-18)16-24(34)32(25(26)35)21-6-1-2-7-21/h3-5,8-9,14,17,21H,1-2,6-7,10-13,15-16H2.
What are the key properties of 3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 498.99 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 45171591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).