(3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione

C18H20N6O3 — CID 58196465

IUPAC(3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C\c2cnn3c(NC4CC4)cc(N4CCOCC4)nc23)C(=O)N1
InChIInChI=1S/C18H20N6O3/c25-16-8-11(18(26)22-16)7-12-10-19-24-15(20-13-1-2-13)9-14(21-17(12)24)23-3-5-27-6-4-23/h7,9-10,13,20H,1-6,8H2,(H,22,25,26)/b11-7+
InChIKeyJQURCFZIYKCONZ-YRNVUSSQSA-N
MW368.40 g/mol
LogP0.57
Rot. Bonds4

About (3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione

(3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione (PubChem CID 58196465) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is (3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
PubChem CID58196465
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name(3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C\c2cnn3c(NC4CC4)cc(N4CCOCC4)nc23)C(=O)N1
InChIInChI=1S/C18H20N6O3/c25-16-8-11(18(26)22-16)7-12-10-19-24-15(20-13-1-2-13)9-14(21-17(12)24)23-3-5-27-6-4-23/h7,9-10,13,20H,1-6,8H2,(H,22,25,26)/b11-7+
InChIKeyJQURCFZIYKCONZ-YRNVUSSQSA-N
XLogP0.57
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione (CID 58196465) is (3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione is O=C1C/C(=C\c2cnn3c(NC4CC4)cc(N4CCOCC4)nc23)C(=O)N1.
What is the InChIKey of (3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione?
The InChIKey is JQURCFZIYKCONZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C18H20N6O3/c25-16-8-11(18(26)22-16)7-12-10-19-24-15(20-13-1-2-13)9-14(21-17(12)24)23-3-5-27-6-4-23/h7,9-10,13,20H,1-6,8H2,(H,22,25,26)/b11-7+.
What are the key properties of (3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione?
(3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione has a molecular weight of 368.40 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[7-(cyclopropylamino)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 58196465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).