(5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one

C37H49N3O4 — CID 67399343

IUPAC(5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CC[C@@H]2/C=C(\c2ccc(C(C)(C)C)cc2)c2ccc(CCCCN(C)C)c(OC)n2)c(OC)c1
InChIInChI=1S/C37H49N3O4/c1-37(2,3)29-16-12-26(13-17-29)32(33-20-15-27(36(38-33)44-8)11-9-10-22-39(4)5)23-30-18-21-35(41)40(30)25-28-14-19-31(42-6)24-34(28)43-7/h12-17,19-20,23-24,30H,9-11,18,21-22,25H2,1-8H3/b32-23+/t30-/m1/s1
InChIKeyLQVULZQESAIBJX-VZAHMOCCSA-N
MW599.82 g/mol
LogP6.91
Rot. Bonds13

About (5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one

(5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 67399343) has the molecular formula C37H49N3O4 and a molecular weight of 599.82 g/mol. Its IUPAC name is (5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID67399343
Molecular FormulaC37H49N3O4
Molecular Weight599.82 g/mol
Exact Mass599.37
IUPAC Name(5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CC[C@@H]2/C=C(\c2ccc(C(C)(C)C)cc2)c2ccc(CCCCN(C)C)c(OC)n2)c(OC)c1
InChIInChI=1S/C37H49N3O4/c1-37(2,3)29-16-12-26(13-17-29)32(33-20-15-27(36(38-33)44-8)11-9-10-22-39(4)5)23-30-18-21-35(41)40(30)25-28-14-19-31(42-6)24-34(28)43-7/h12-17,19-20,23-24,30H,9-11,18,21-22,25H2,1-8H3/b32-23+/t30-/m1/s1
InChIKeyLQVULZQESAIBJX-VZAHMOCCSA-N
XLogP6.91
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.82
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)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

(5R)-5-[2-(5-acetyl-6-methoxy-2-pyridinyl)-2-(4-tert-butylphenyl)ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 67400683
(5R)-5-[2-[5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]-6-methoxy-2-pyridinyl]-2-(4-tert-butylphenyl)ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 67397856
(5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67396302
5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethynyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 76790382
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
CID 64971367
4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one
CID 54501513
(3aS,7aS)-1-[(2,4-dimethoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydroindole-2,6-dione
CID 124567118
1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 115137127
(4aS,8aR)-6-[(2,4-dimethoxyphenyl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133130200
(5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one
CID 91919581

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one (CID 67399343) is (5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(CN2C(=O)CC[C@@H]2/C=C(\c2ccc(C(C)(C)C)cc2)c2ccc(CCCCN(C)C)c(OC)n2)c(OC)c1.
What is the InChIKey of (5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is LQVULZQESAIBJX-VZAHMOCCSA-N. The full InChI is InChI=1S/C37H49N3O4/c1-37(2,3)29-16-12-26(13-17-29)32(33-20-15-27(36(38-33)44-8)11-9-10-22-39(4)5)23-30-18-21-35(41)40(30)25-28-14-19-31(42-6)24-34(28)43-7/h12-17,19-20,23-24,30H,9-11,18,21-22,25H2,1-8H3/b32-23+/t30-/m1/s1.
What are the key properties of (5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one?
(5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 599.82 g/mol, XLogP of 6.91, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E)-2-(4-tert-butylphenyl)-2-[5-[4-(dimethylamino)butyl]-6-methoxy-2-pyridinyl]ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 67399343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).