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

C26H22ClFN4O2 — CID 166165611

IUPAC1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(-c2cc(F)cc(-c3ccnc(N4CCNCC4)c3)c2O)cc1Cl
InChIInChI=1S/C26H22ClFN4O2/c27-22-13-17(4-5-23(22)32-10-2-1-3-25(32)33)20-15-19(28)16-21(26(20)34)18-6-7-30-24(14-18)31-11-8-29-9-12-31/h1-7,10,13-16,29,34H,8-9,11-12H2
InChIKeyVXJOZFDNFOCCPA-UHFFFAOYSA-N
MW476.94 g/mol
LogP4.47
Rot. Bonds4

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

1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one (PubChem CID 166165611) has the molecular formula C26H22ClFN4O2 and a molecular weight of 476.94 g/mol. Its IUPAC name is 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one
PubChem CID166165611
Molecular FormulaC26H22ClFN4O2
Molecular Weight476.94 g/mol
Exact Mass476.14
IUPAC Name1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(-c2cc(F)cc(-c3ccnc(N4CCNCC4)c3)c2O)cc1Cl
InChIInChI=1S/C26H22ClFN4O2/c27-22-13-17(4-5-23(22)32-10-2-1-3-25(32)33)20-15-19(28)16-21(26(20)34)18-6-7-30-24(14-18)31-11-8-29-9-12-31/h1-7,10,13-16,29,34H,8-9,11-12H2
InChIKeyVXJOZFDNFOCCPA-UHFFFAOYSA-N
XLogP4.47
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.94
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one?
The IUPAC name of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one (CID 166165611) is 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one.
What is the SMILES notation for 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one?
The canonical SMILES for 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one is O=c1ccccn1-c1ccc(-c2cc(F)cc(-c3ccnc(N4CCNCC4)c3)c2O)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one?
The InChIKey is VXJOZFDNFOCCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O2/c27-22-13-17(4-5-23(22)32-10-2-1-3-25(32)33)20-15-19(28)16-21(26(20)34)18-6-7-30-24(14-18)31-11-8-29-9-12-31/h1-7,10,13-16,29,34H,8-9,11-12H2.
What are the key properties of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one?
1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one has a molecular weight of 476.94 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyridin-2-one is sourced from PubChem (CID 166165611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).