4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile

C25H19FN4O — CID 58767482

IUPAC4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)c2ccc(-c3ccccn3)cc2c1-c1cccc(F)c1
InChIInChI=1S/C25H19FN4O/c26-19-5-3-4-18(14-19)24-21-15-17(22-6-1-2-9-28-22)7-8-20(21)25(29-23(24)16-27)30-10-12-31-13-11-30/h1-9,14-15H,10-13H2
InChIKeyITLBESIBTUSTBS-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.81
Rot. Bonds3

About 4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile

4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile (PubChem CID 58767482) has the molecular formula C25H19FN4O and a molecular weight of 410.45 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile
PubChem CID58767482
Molecular FormulaC25H19FN4O
Molecular Weight410.45 g/mol
Exact Mass410.15
IUPAC Name4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)c2ccc(-c3ccccn3)cc2c1-c1cccc(F)c1
InChIInChI=1S/C25H19FN4O/c26-19-5-3-4-18(14-19)24-21-15-17(22-6-1-2-9-28-22)7-8-20(21)25(29-23(24)16-27)30-10-12-31-13-11-30/h1-9,14-15H,10-13H2
InChIKeyITLBESIBTUSTBS-UHFFFAOYSA-N
XLogP4.81
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile 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 4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile?
The IUPAC name of 4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile (CID 58767482) is 4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile?
The canonical SMILES for 4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile is N#Cc1nc(N2CCOCC2)c2ccc(-c3ccccn3)cc2c1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile?
The InChIKey is ITLBESIBTUSTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O/c26-19-5-3-4-18(14-19)24-21-15-17(22-6-1-2-9-28-22)7-8-20(21)25(29-23(24)16-27)30-10-12-31-13-11-30/h1-9,14-15H,10-13H2.
What are the key properties of 4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile?
4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile has a molecular weight of 410.45 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile is sourced from PubChem (CID 58767482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).