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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Related Compounds

1-[4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]-2-fluorophenyl]pyrrolidin-2-one
CID 166167345
1-[2-chloro-4-[3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]pyrrolidin-2-one
CID 166166027
1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one
CID 166166725
1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one
CID 171796131
1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one
CID 171795961
3-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]-1,3-oxazol-2-one
CID 166165771
1-[2-chloro-4-[2-hydroxy-3-[5-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]phenyl]pyrrolidin-2-one
CID 167218868
(4S)-3-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]-4-methoxy-1,3-oxazolidin-2-one
CID 166166671
1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one
CID 171795908
1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one
CID 166166003
N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide
CID 166166170
3-[3-chloro-4-(2-hydroxy-3-methylimidazolidin-1-yl)phenyl]-4-hydroxy-5-(2-piperazin-1-yl-4-pyridinyl)benzonitrile
CID 174260181

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).