1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine

C18H12FN5 — CID 66836926

IUPAC1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine
SMILESFc1cc(-c2nc(Nc3cnccn3)cc3ccccc23)ccn1
InChIInChI=1S/C18H12FN5/c19-15-9-13(5-6-21-15)18-14-4-2-1-3-12(14)10-16(24-18)23-17-11-20-7-8-22-17/h1-11H,(H,22,23,24)
InChIKeyWGTZQOLEYOCWIF-UHFFFAOYSA-N
MW317.33 g/mol
LogP3.97
Rot. Bonds3

About 1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine

1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine (PubChem CID 66836926) has the molecular formula C18H12FN5 and a molecular weight of 317.33 g/mol. Its IUPAC name is 1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine
PubChem CID66836926
Molecular FormulaC18H12FN5
Molecular Weight317.33 g/mol
Exact Mass317.11
IUPAC Name1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine
SMILESFc1cc(-c2nc(Nc3cnccn3)cc3ccccc23)ccn1
InChIInChI=1S/C18H12FN5/c19-15-9-13(5-6-21-15)18-14-4-2-1-3-12(14)10-16(24-18)23-17-11-20-7-8-22-17/h1-11H,(H,22,23,24)
InChIKeyWGTZQOLEYOCWIF-UHFFFAOYSA-N
XLogP3.97
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine
CID 56947892
1-[4-[3-(pyrazin-2-ylamino)isoquinolin-1-yl]-2-pyridinyl]piperazine-2-carboxylic acid
CID 56948016
N-pyrazin-2-ylisoquinolin-1-amine
CID 66836772
N-(4-fluoro-2-pyridinyl)pyrazin-2-amine
CID 153337930
2-N,6-N-di(pyrazin-2-yl)pyrazine-2,6-diamine
CID 86223538
4-(2-bromophenyl)-2-fluoropyridine
CID 168810872
N-[4-[2-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridinyl]methanesulfonamide
CID 145071787
N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine
CID 23634232
N-[4-[(4-methylnaphthalen-1-yl)oxymethyl]-2-pyridinyl]pyrazin-2-amine
CID 123408134
2-bromo-6-(2-fluoro-4-pyridinyl)pyridine
CID 71480002
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 56837785
2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate
CID 162328414

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine?
The IUPAC name of 1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine (CID 66836926) is 1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine.
What is the SMILES notation for 1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine?
The canonical SMILES for 1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine is Fc1cc(-c2nc(Nc3cnccn3)cc3ccccc23)ccn1.
What is the InChIKey of 1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine?
The InChIKey is WGTZQOLEYOCWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5/c19-15-9-13(5-6-21-15)18-14-4-2-1-3-12(14)10-16(24-18)23-17-11-20-7-8-22-17/h1-11H,(H,22,23,24).
What are the key properties of 1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine?
1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine has a molecular weight of 317.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine is sourced from PubChem (CID 66836926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).