2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one

C23H21FN4O2 — CID 46888924

IUPAC2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3CCCC3)ccc1C2=O
InChIInChI=1S/C23H21FN4O2/c24-15-5-3-14(4-6-15)20-19-21(27-23(25)26-20)18-13-16(7-8-17(18)22(19)29)30-12-11-28-9-1-2-10-28/h3-8,13H,1-2,9-12H2,(H2,25,26,27)
InChIKeyDOUZYYPAGNYRDV-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.55
Rot. Bonds5

About 2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one

2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46888924) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one
PubChem CID46888924
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3CCCC3)ccc1C2=O
InChIInChI=1S/C23H21FN4O2/c24-15-5-3-14(4-6-15)20-19-21(27-23(25)26-20)18-13-16(7-8-17(18)22(19)29)30-12-11-28-9-1-2-10-28/h3-8,13H,1-2,9-12H2,(H2,25,26,27)
InChIKeyDOUZYYPAGNYRDV-UHFFFAOYSA-N
XLogP3.55
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one 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-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one (CID 46888924) is 2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3CCCC3)ccc1C2=O.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is DOUZYYPAGNYRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-15-5-3-14(4-6-15)20-19-21(27-23(25)26-20)18-13-16(7-8-17(18)22(19)29)30-12-11-28-9-1-2-10-28/h3-8,13H,1-2,9-12H2,(H2,25,26,27).
What are the key properties of 2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 404.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-8-(2-pyrrolidin-1-ylethoxy)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46888924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).