3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione

C23H22ClFN4O3S — CID 146445262

IUPAC3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione
SMILESCc1cc(Cl)cc(-c2ccnc3c(F)c(CN4C(=O)CNC4=O)sc23)c1CC1CNCCO1
InChIInChI=1S/C23H22ClFN4O3S/c1-12-6-13(24)7-17(16(12)8-14-9-26-4-5-32-14)15-2-3-27-21-20(25)18(33-22(15)21)11-29-19(30)10-28-23(29)31/h2-3,6-7,14,26H,4-5,8-11H2,1H3,(H,28,31)
InChIKeyPNCGFBDGEPQXOC-UHFFFAOYSA-N
MW488.97 g/mol
LogP3.65
Rot. Bonds5

About 3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione

3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 146445262) has the molecular formula C23H22ClFN4O3S and a molecular weight of 488.97 g/mol. Its IUPAC name is 3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID146445262
Molecular FormulaC23H22ClFN4O3S
Molecular Weight488.97 g/mol
Exact Mass488.11
IUPAC Name3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione
SMILESCc1cc(Cl)cc(-c2ccnc3c(F)c(CN4C(=O)CNC4=O)sc23)c1CC1CNCCO1
InChIInChI=1S/C23H22ClFN4O3S/c1-12-6-13(24)7-17(16(12)8-14-9-26-4-5-32-14)15-2-3-27-21-20(25)18(33-22(15)21)11-29-19(30)10-28-23(29)31/h2-3,6-7,14,26H,4-5,8-11H2,1H3,(H,28,31)
InChIKeyPNCGFBDGEPQXOC-UHFFFAOYSA-N
XLogP3.65
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.97
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 146445222
3-[[7-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 146445219
3-[[7-(5-chloro-2,3-dimethylphenyl)-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione
CID 146478778
3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione
CID 146445361
[7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol
CID 138610473
3-[[4-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-one
CID 146478875
1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione
CID 170961154
6,6-dimethyl-3-[[7-[4-methyl-2-(morpholin-2-ylmethyl)-3-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 168844334
3-[[4-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-1-ethylpyrimidine-2,4-dione
CID 174207971
3-[[7-[5-chloro-3-methyl-2-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 146445393
1-[[7-[5-chloro-2-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 146445121
1-[[7-[5-chloro-2-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 146445029

Frequently Asked Questions

What is the IUPAC name of 3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione (CID 146445262) is 3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione is Cc1cc(Cl)cc(-c2ccnc3c(F)c(CN4C(=O)CNC4=O)sc23)c1CC1CNCCO1.
What is the InChIKey of 3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is PNCGFBDGEPQXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O3S/c1-12-6-13(24)7-17(16(12)8-14-9-26-4-5-32-14)15-2-3-27-21-20(25)18(33-22(15)21)11-29-19(30)10-28-23(29)31/h2-3,6-7,14,26H,4-5,8-11H2,1H3,(H,28,31).
What are the key properties of 3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione?
3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 488.97 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146445262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).