2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide

C18H14FN5O3 — CID 3243683

IUPAC2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1ccco1
InChIInChI=1S/C18H14FN5O3/c19-12-3-5-13(6-4-12)24-17-15(9-22-24)18(26)23(11-21-17)10-16(25)20-8-14-2-1-7-27-14/h1-7,9,11H,8,10H2,(H,20,25)
InChIKeyIODUGAXAMVELEL-UHFFFAOYSA-N
MW367.34 g/mol
LogP1.63
Rot. Bonds5

About 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide

2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3243683) has the molecular formula C18H14FN5O3 and a molecular weight of 367.34 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID3243683
Molecular FormulaC18H14FN5O3
Molecular Weight367.34 g/mol
Exact Mass367.11
IUPAC Name2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1ccco1
InChIInChI=1S/C18H14FN5O3/c19-12-3-5-13(6-4-12)24-17-15(9-22-24)18(26)23(11-21-17)10-16(25)20-8-14-2-1-7-27-14/h1-7,9,11H,8,10H2,(H,20,25)
InChIKeyIODUGAXAMVELEL-UHFFFAOYSA-N
XLogP1.63
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)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 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide (CID 3243683) is 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1ccco1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IODUGAXAMVELEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O3/c19-12-3-5-13(6-4-12)24-17-15(9-22-24)18(26)23(11-21-17)10-16(25)20-8-14-2-1-7-27-14/h1-7,9,11H,8,10H2,(H,20,25).
What are the key properties of 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide?
2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 367.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3243683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).