(5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C23H21N3O4S — CID 118089797

IUPAC(5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(CN2CCCC2)cc1-c1cncc2cc(/C=C3\SC(=O)NC3=O)oc12
InChIInChI=1S/C23H21N3O4S/c1-29-19-5-4-14(13-26-6-2-3-7-26)8-17(19)18-12-24-11-15-9-16(30-21(15)18)10-20-22(27)25-23(28)31-20/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,25,27,28)/b20-10-
InChIKeyBJNYHTCVMHGJLC-JMIUGGIZSA-N
MW435.51 g/mol
LogP4.42
Rot. Bonds5

About (5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118089797) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is (5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118089797
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name(5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(CN2CCCC2)cc1-c1cncc2cc(/C=C3\SC(=O)NC3=O)oc12
InChIInChI=1S/C23H21N3O4S/c1-29-19-5-4-14(13-26-6-2-3-7-26)8-17(19)18-12-24-11-15-9-16(30-21(15)18)10-20-22(27)25-23(28)31-20/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,25,27,28)/b20-10-
InChIKeyBJNYHTCVMHGJLC-JMIUGGIZSA-N
XLogP4.42
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118089797) is (5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is COc1ccc(CN2CCCC2)cc1-c1cncc2cc(/C=C3\SC(=O)NC3=O)oc12.
What is the InChIKey of (5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is BJNYHTCVMHGJLC-JMIUGGIZSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-29-19-5-4-14(13-26-6-2-3-7-26)8-17(19)18-12-24-11-15-9-16(30-21(15)18)10-20-22(27)25-23(28)31-20/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,25,27,28)/b20-10-.
What are the key properties of (5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 435.51 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118089797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).