N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

C25H23N5O3 — CID 55645399

IUPACN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)Cn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C25H23N5O3/c1-17-18(14-30(28-17)19-9-3-2-4-10-19)8-7-13-26-22(31)15-29-16-27-23-20-11-5-6-12-21(20)33-24(23)25(29)32/h2-6,9-12,14,16H,7-8,13,15H2,1H3,(H,26,31)
InChIKeyUTMIIMKDUXRRBM-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.39
Rot. Bonds7

About N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 55645399) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID55645399
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)Cn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C25H23N5O3/c1-17-18(14-30(28-17)19-9-3-2-4-10-19)8-7-13-26-22(31)15-29-16-27-23-20-11-5-6-12-21(20)33-24(23)25(29)32/h2-6,9-12,14,16H,7-8,13,15H2,1H3,(H,26,31)
InChIKeyUTMIIMKDUXRRBM-UHFFFAOYSA-N
XLogP3.39
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide 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 N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (CID 55645399) is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is Cc1nn(-c2ccccc2)cc1CCCNC(=O)Cn1cnc2c(oc3ccccc32)c1=O.
What is the InChIKey of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is UTMIIMKDUXRRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-17-18(14-30(28-17)19-9-3-2-4-10-19)8-7-13-26-22(31)15-29-16-27-23-20-11-5-6-12-21(20)33-24(23)25(29)32/h2-6,9-12,14,16H,7-8,13,15H2,1H3,(H,26,31).
What are the key properties of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 441.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 55645399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).