1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one

C25H24Cl2N4O2 — CID 166165564

IUPAC1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2cc(Cl)cc(-c3ccnc(N4CCNCC4)c3)c2O)cc1Cl
InChIInChI=1S/C25H24Cl2N4O2/c26-18-14-19(16-3-4-22(21(27)12-16)31-9-1-2-24(31)32)25(33)20(15-18)17-5-6-29-23(13-17)30-10-7-28-8-11-30/h3-6,12-15,28,33H,1-2,7-11H2
InChIKeyDGRWWYXPKWEDTR-UHFFFAOYSA-N
MW483.40 g/mol
LogP4.96
Rot. Bonds4

About 1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one

1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one (PubChem CID 166165564) has the molecular formula C25H24Cl2N4O2 and a molecular weight of 483.40 g/mol. Its IUPAC name is 1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one
PubChem CID166165564
Molecular FormulaC25H24Cl2N4O2
Molecular Weight483.40 g/mol
Exact Mass482.13
IUPAC Name1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2cc(Cl)cc(-c3ccnc(N4CCNCC4)c3)c2O)cc1Cl
InChIInChI=1S/C25H24Cl2N4O2/c26-18-14-19(16-3-4-22(21(27)12-16)31-9-1-2-24(31)32)25(33)20(15-18)17-5-6-29-23(13-17)30-10-7-28-8-11-30/h3-6,12-15,28,33H,1-2,7-11H2
InChIKeyDGRWWYXPKWEDTR-UHFFFAOYSA-N
XLogP4.96
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one (CID 166165564) is 1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(-c2cc(Cl)cc(-c3ccnc(N4CCNCC4)c3)c2O)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one?
The InChIKey is DGRWWYXPKWEDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O2/c26-18-14-19(16-3-4-22(21(27)12-16)31-9-1-2-24(31)32)25(33)20(15-18)17-5-6-29-23(13-17)30-10-7-28-8-11-30/h3-6,12-15,28,33H,1-2,7-11H2.
What are the key properties of 1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one?
1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one has a molecular weight of 483.40 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 166165564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).