1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

C27H27ClN4O2 — CID 129458256

IUPAC1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(C(=O)N2CCC[C@@H]2c2cncc(Cc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C27H27ClN4O2/c28-22-8-2-5-19(14-22)15-23-16-29-17-24(30-23)25-9-3-12-32(25)27(34)21-7-1-6-20(13-21)18-31-11-4-10-26(31)33/h1-2,5-8,13-14,16-17,25H,3-4,9-12,15,18H2/t25-/m1/s1
InChIKeySMMNRCHWJCFLGF-RUZDIDTESA-N
MW474.99 g/mol
LogP4.82
Rot. Bonds6

About 1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 129458256) has the molecular formula C27H27ClN4O2 and a molecular weight of 474.99 g/mol. Its IUPAC name is 1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID129458256
Molecular FormulaC27H27ClN4O2
Molecular Weight474.99 g/mol
Exact Mass474.18
IUPAC Name1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(C(=O)N2CCC[C@@H]2c2cncc(Cc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C27H27ClN4O2/c28-22-8-2-5-19(14-22)15-23-16-29-17-24(30-23)25-9-3-12-32(25)27(34)21-7-1-6-20(13-21)18-31-11-4-10-26(31)33/h1-2,5-8,13-14,16-17,25H,3-4,9-12,15,18H2/t25-/m1/s1
InChIKeySMMNRCHWJCFLGF-RUZDIDTESA-N
XLogP4.82
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110267976
1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 129457476
[2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110151815
[3-[(2-methylimidazol-1-yl)methyl]phenyl]-[(2R)-2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 129454607
N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 125014411
1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 110264662
[(2S)-2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 129453763
1-[[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 17419740
1-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]propan-1-one
CID 125008810
1-[2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]propan-1-one
CID 110094594
1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110267974
1-[[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9208433

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (CID 129458256) is 1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cccc(C(=O)N2CCC[C@@H]2c2cncc(Cc3cccc(Cl)c3)n2)c1.
What is the InChIKey of 1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is SMMNRCHWJCFLGF-RUZDIDTESA-N. The full InChI is InChI=1S/C27H27ClN4O2/c28-22-8-2-5-19(14-22)15-23-16-29-17-24(30-23)25-9-3-12-32(25)27(34)21-7-1-6-20(13-21)18-31-11-4-10-26(31)33/h1-2,5-8,13-14,16-17,25H,3-4,9-12,15,18H2/t25-/m1/s1.
What are the key properties of 1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 474.99 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 129458256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).