1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one

C26H25ClN4O2 — CID 171796131

IUPAC1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one
SMILESCC1=NCCN(c2cc(-c3cccc(-c4ccc(N5CCCC5=O)c(Cl)c4)c3O)ccn2)C1
InChIInChI=1S/C26H25ClN4O2/c1-17-16-30(13-11-28-17)24-15-19(9-10-29-24)21-5-2-4-20(26(21)33)18-7-8-23(22(27)14-18)31-12-3-6-25(31)32/h2,4-5,7-10,14-15,33H,3,6,11-13,16H2,1H3
InChIKeyQUAQOPLTCCUWOL-UHFFFAOYSA-N
MW460.97 g/mol
LogP5.18
Rot. Bonds4

About 1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one

1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one (PubChem CID 171796131) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one
PubChem CID171796131
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one
SMILESCC1=NCCN(c2cc(-c3cccc(-c4ccc(N5CCCC5=O)c(Cl)c4)c3O)ccn2)C1
InChIInChI=1S/C26H25ClN4O2/c1-17-16-30(13-11-28-17)24-15-19(9-10-29-24)21-5-2-4-20(26(21)33)18-7-8-23(22(27)14-18)31-12-3-6-25(31)32/h2,4-5,7-10,14-15,33H,3,6,11-13,16H2,1H3
InChIKeyQUAQOPLTCCUWOL-UHFFFAOYSA-N
XLogP5.18
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.97
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-chloro-4-[3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]pyrrolidin-2-one
CID 166166027
1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one
CID 166165564
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-[2-hydroxy-3-[5-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]phenyl]pyrrolidin-2-one
CID 167218868
1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one
CID 166166803
N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide
CID 166166395
N-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide
CID 166165742
1-[4-[3-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one
CID 171795952
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-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one
CID 166166725
1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 166167104
1-[4-[3-[5-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]pyrrolidin-2-one
CID 167333323

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 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) is 1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one is CC1=NCCN(c2cc(-c3cccc(-c4ccc(N5CCCC5=O)c(Cl)c4)c3O)ccn2)C1.
What is the InChIKey of 1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one?
The InChIKey is QUAQOPLTCCUWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c1-17-16-30(13-11-28-17)24-15-19(9-10-29-24)21-5-2-4-20(26(21)33)18-7-8-23(22(27)14-18)31-12-3-6-25(31)32/h2,4-5,7-10,14-15,33H,3,6,11-13,16H2,1H3.
What are the key properties of 1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one?
1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one has a molecular weight of 460.97 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 171796131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).