1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

C26H25ClN4O2 — CID 129457476

IUPAC1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(C(=O)N2CCC[C@H]2c2ccnc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C26H25ClN4O2/c27-21-10-8-19(9-11-21)25-28-13-12-22(29-25)23-6-2-15-31(23)26(33)20-5-1-4-18(16-20)17-30-14-3-7-24(30)32/h1,4-5,8-13,16,23H,2-3,6-7,14-15,17H2/t23-/m0/s1
InChIKeyPQZYUZBTLSBTOL-QHCPKHFHSA-N
MW460.97 g/mol
LogP4.90
Rot. Bonds5

About 1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 129457476) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID129457476
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(C(=O)N2CCC[C@H]2c2ccnc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C26H25ClN4O2/c27-21-10-8-19(9-11-21)25-28-13-12-22(29-25)23-6-2-15-31(23)26(33)20-5-1-4-18(16-20)17-30-14-3-7-24(30)32/h1,4-5,8-13,16,23H,2-3,6-7,14-15,17H2/t23-/m0/s1
InChIKeyPQZYUZBTLSBTOL-QHCPKHFHSA-N
XLogP4.90
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-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-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 129458256
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
[(2R)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95816160
[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 95816109
1-[[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 17419740
1-[[3-[2-(2-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 154762151
[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 110253708
(4-benzyloxan-4-yl)-[2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 155986592
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 94810217
1-[[4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 17392059
[(2R)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 125018250
1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 45340369

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (CID 129457476) is 1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cccc(C(=O)N2CCC[C@H]2c2ccnc(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is PQZYUZBTLSBTOL-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c27-21-10-8-19(9-11-21)25-28-13-12-22(29-25)23-6-2-15-31(23)26(33)20-5-1-4-18(16-20)17-30-14-3-7-24(30)32/h1,4-5,8-13,16,23H,2-3,6-7,14-15,17H2/t23-/m0/s1.
What are the key properties of 1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 460.97 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 129457476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).