2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine

C22H17FN4O2 — CID 58507874

IUPAC2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1cc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c2cc[nH]c2c1
InChIInChI=1S/C22H17FN4O2/c23-13-11-16(14-5-6-24-17(14)12-13)21-25-19-15-3-1-2-4-18(15)29-20(19)22(26-21)27-7-9-28-10-8-27/h1-6,11-12,24H,7-10H2
InChIKeyRBSJMZIHOUIFDQ-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.50
Rot. Bonds2

About 2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine

2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 58507874) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID58507874
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1cc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c2cc[nH]c2c1
InChIInChI=1S/C22H17FN4O2/c23-13-11-16(14-5-6-24-17(14)12-13)21-25-19-15-3-1-2-4-18(15)29-20(19)22(26-21)27-7-9-28-10-8-27/h1-6,11-12,24H,7-10H2
InChIKeyRBSJMZIHOUIFDQ-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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine (CID 58507874) is 2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine is Fc1cc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c2cc[nH]c2c1.
What is the InChIKey of 2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is RBSJMZIHOUIFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-13-11-16(14-5-6-24-17(14)12-13)21-25-19-15-3-1-2-4-18(15)29-20(19)22(26-21)27-7-9-28-10-8-27/h1-6,11-12,24H,7-10H2.
What are the key properties of 2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine?
2-(6-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-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 58507874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).