2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine

C22H17FN4O2 — CID 58508074

IUPAC2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C22H17FN4O2/c23-15-5-6-16-13(7-8-24-16)18(15)21-25-19-14-3-1-2-4-17(14)29-20(19)22(26-21)27-9-11-28-12-10-27/h1-8,24H,9-12H2
InChIKeyGEKARAJDHAQDNV-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.50
Rot. Bonds2

About 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine

2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 58508074) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID58508074
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C22H17FN4O2/c23-15-5-6-16-13(7-8-24-16)18(15)21-25-19-14-3-1-2-4-17(14)29-20(19)22(26-21)27-9-11-28-12-10-27/h1-8,24H,9-12H2
InChIKeyGEKARAJDHAQDNV-UHFFFAOYSA-N
XLogP4.50
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine 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-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine (CID 58508074) is 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine is Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is GEKARAJDHAQDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-15-5-6-16-13(7-8-24-16)18(15)21-25-19-14-3-1-2-4-17(14)29-20(19)22(26-21)27-9-11-28-12-10-27/h1-8,24H,9-12H2.
What are the key properties of 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine?
2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 388.40 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 58508074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).