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

C22H17FN2O2S — CID 31429387

IUPAC5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCc3sccc3[C@@H]2c2ccccc2)c2ccc(F)cc21
InChIInChI=1S/C22H17FN2O2S/c23-15-6-7-18-17(12-15)21(26)22(27)25(18)13-24-10-8-19-16(9-11-28-19)20(24)14-4-2-1-3-5-14/h1-7,9,11-12,20H,8,10,13H2/t20-/m0/s1
InChIKeyOHMYAKQZIKPACY-FQEVSTJZSA-N
MW392.46 g/mol
LogP4.02
Rot. Bonds3

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

5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione (PubChem CID 31429387) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione
PubChem CID31429387
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC Name5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCc3sccc3[C@@H]2c2ccccc2)c2ccc(F)cc21
InChIInChI=1S/C22H17FN2O2S/c23-15-6-7-18-17(12-15)21(26)22(27)25(18)13-24-10-8-19-16(9-11-28-19)20(24)14-4-2-1-3-5-14/h1-7,9,11-12,20H,8,10,13H2/t20-/m0/s1
InChIKeyOHMYAKQZIKPACY-FQEVSTJZSA-N
XLogP4.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione
CID 9325280
(5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione
CID 124838181
1-[[(4R)-4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-5-fluoroindole-2,3-dione
CID 9320618
(2,4-difluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41130082
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25489177
2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one
CID 42890741
N-(3,4-difluorophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492460
N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842
2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51244387
(1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol
CID 124856620
N-[(2-methylphenyl)methyl]-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46564008
6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one
CID 46598306

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione?
The IUPAC name of 5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione (CID 31429387) is 5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione?
The canonical SMILES for 5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione is O=C1C(=O)N(CN2CCc3sccc3[C@@H]2c2ccccc2)c2ccc(F)cc21.
What is the InChIKey of 5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione?
The InChIKey is OHMYAKQZIKPACY-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c23-15-6-7-18-17(12-15)21(26)22(27)25(18)13-24-10-8-19-16(9-11-28-19)20(24)14-4-2-1-3-5-14/h1-7,9,11-12,20H,8,10,13H2/t20-/m0/s1.
What are the key properties of 5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione?
5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione has a molecular weight of 392.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 31429387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).