1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione

C24H25ClN4O2S — CID 146445185

IUPAC1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1CN1CCNCC1
InChIInChI=1S/C24H25ClN4O2S/c1-15-10-16(25)11-19(20(15)14-28-8-6-26-7-9-28)18-4-5-27-21-12-17(32-24(18)21)13-29-22(30)2-3-23(29)31/h4-5,10-12,26H,2-3,6-9,13-14H2,1H3
InChIKeyMJVNKLYUWIPXLC-UHFFFAOYSA-N
MW469.01 g/mol
LogP3.98
Rot. Bonds5

About 1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione

1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 146445185) has the molecular formula C24H25ClN4O2S and a molecular weight of 469.01 g/mol. Its IUPAC name is 1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
PubChem CID146445185
Molecular FormulaC24H25ClN4O2S
Molecular Weight469.01 g/mol
Exact Mass468.14
IUPAC Name1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1CN1CCNCC1
InChIInChI=1S/C24H25ClN4O2S/c1-15-10-16(25)11-19(20(15)14-28-8-6-26-7-9-28)18-4-5-27-21-12-17(32-24(18)21)13-29-22(30)2-3-23(29)31/h4-5,10-12,26H,2-3,6-9,13-14H2,1H3
InChIKeyMJVNKLYUWIPXLC-UHFFFAOYSA-N
XLogP3.98
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Usp7-IN-7
CID 146445055
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
1-[[7-[5-chloro-2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 146445360
3-[[7-[5-chloro-3-methyl-2-[[(2R,6R)-6-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 146445370
3-[[7-[5-Chloro-3-methyl-2-(piperidin-3-ylamino)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 156013528
3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 146445064
1-[[7-[5-chloro-3-methyl-2-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 146445073
3-[[7-[5-Chloro-3-methyl-2-(piperidin-3-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 156018246
3-[4-(4-chlorophenyl)piperidin-1-yl]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 145747028
US12404279, Example 123.
CID 168844443
1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione
CID 164871954
(3S)-4-[[3-(5-chlorothiophen-2-yl)-4-fluorophenyl]methyl]-3-propyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 67013934

Frequently Asked Questions

What is the IUPAC name of 1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (CID 146445185) is 1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1CN1CCNCC1.
What is the InChIKey of 1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is MJVNKLYUWIPXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2S/c1-15-10-16(25)11-19(20(15)14-28-8-6-26-7-9-28)18-4-5-27-21-12-17(32-24(18)21)13-29-22(30)2-3-23(29)31/h4-5,10-12,26H,2-3,6-9,13-14H2,1H3.
What are the key properties of 1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 469.01 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-[5-chloro-3-methyl-2-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 146445185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).