4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione

C24H30N2O3S — CID 67356759

IUPAC4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
SMILESCOC[C@@H]1CCCN1C(=O)CC(C)C(=O)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C24H30N2O3S/c1-17(15-22(27)25-12-6-9-19(25)16-29-2)24(28)26-13-10-21-20(11-14-30-21)23(26)18-7-4-3-5-8-18/h3-5,7-8,11,14,17,19,23H,6,9-10,12-13,15-16H2,1-2H3/t17?,19-,23?/m0/s1
InChIKeyUHYSHQQCAYATAT-YZOUICBYSA-N
MW426.58 g/mol
LogP3.89
Rot. Bonds6

About 4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione

4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione (PubChem CID 67356759) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is 4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione.

Molecular Properties

Compound Name4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
PubChem CID67356759
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC Name4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
SMILESCOC[C@@H]1CCCN1C(=O)CC(C)C(=O)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C24H30N2O3S/c1-17(15-22(27)25-12-6-9-19(25)16-29-2)24(28)26-13-10-21-20(11-14-30-21)23(26)18-7-4-3-5-8-18/h3-5,7-8,11,14,17,19,23H,6,9-10,12-13,15-16H2,1-2H3/t17?,19-,23?/m0/s1
InChIKeyUHYSHQQCAYATAT-YZOUICBYSA-N
XLogP3.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione 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-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-1-yl]-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
CID 67358227
3-cyclopentyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 18093663
2-(4-methoxyphenoxy)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451540
2-(4-methoxyphenoxy)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451539
3-cyclopropyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 157330054
2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7495269
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-phenylethanone
CID 3498352
N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3981123
4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanal
CID 87516306
N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 5157507
(2R)-2-chloro-N-(2-methoxyethyl)-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
CID 7216722
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione?
The IUPAC name of 4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione (CID 67356759) is 4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione.
What is the SMILES notation for 4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione?
The canonical SMILES for 4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione is COC[C@@H]1CCCN1C(=O)CC(C)C(=O)N1CCc2sccc2C1c1ccccc1.
What is the InChIKey of 4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione?
The InChIKey is UHYSHQQCAYATAT-YZOUICBYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-17(15-22(27)25-12-6-9-19(25)16-29-2)24(28)26-13-10-21-20(11-14-30-21)23(26)18-7-4-3-5-8-18/h3-5,7-8,11,14,17,19,23H,6,9-10,12-13,15-16H2,1-2H3/t17?,19-,23?/m0/s1.
What are the key properties of 4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione?
4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione has a molecular weight of 426.58 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione is sourced from PubChem (CID 67356759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).