(3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione

C23H23N5O2 — CID 58196720

IUPAC(3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
SMILESCC(Cc1cc(NC2CC2)n2ncc(/C=C3\CC(=O)NC3=O)c2n1)c1ccccc1
InChIInChI=1S/C23H23N5O2/c1-14(15-5-3-2-4-6-15)9-19-12-20(25-18-7-8-18)28-22(26-19)17(13-24-28)10-16-11-21(29)27-23(16)30/h2-6,10,12-14,18,25H,7-9,11H2,1H3,(H,27,29,30)/b16-10+
InChIKeyPWWPNTKKGZNRGI-MHWRWJLKSA-N
MW401.47 g/mol
LogP3.08
Rot. Bonds6

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

(3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione (PubChem CID 58196720) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
PubChem CID58196720
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name(3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
SMILESCC(Cc1cc(NC2CC2)n2ncc(/C=C3\CC(=O)NC3=O)c2n1)c1ccccc1
InChIInChI=1S/C23H23N5O2/c1-14(15-5-3-2-4-6-15)9-19-12-20(25-18-7-8-18)28-22(26-19)17(13-24-28)10-16-11-21(29)27-23(16)30/h2-6,10,12-14,18,25H,7-9,11H2,1H3,(H,27,29,30)/b16-10+
InChIKeyPWWPNTKKGZNRGI-MHWRWJLKSA-N
XLogP3.08
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-phenylpropyl)pyrazolo[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-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione (CID 58196720) is (3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione is CC(Cc1cc(NC2CC2)n2ncc(/C=C3\CC(=O)NC3=O)c2n1)c1ccccc1.
What is the InChIKey of (3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione?
The InChIKey is PWWPNTKKGZNRGI-MHWRWJLKSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14(15-5-3-2-4-6-15)9-19-12-20(25-18-7-8-18)28-22(26-19)17(13-24-28)10-16-11-21(29)27-23(16)30/h2-6,10,12-14,18,25H,7-9,11H2,1H3,(H,27,29,30)/b16-10+.
What are the key properties of (3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione?
(3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione has a molecular weight of 401.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[7-(cyclopropylamino)-5-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 58196720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).