6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one

C19H15FN4O — CID 122588299

IUPAC6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESNc1ncc(-c2cnccc2F)cc1-c1ccc2c(c1)CCNC2=O
InChIInChI=1S/C19H15FN4O/c20-17-4-5-22-10-16(17)13-8-15(18(21)24-9-13)11-1-2-14-12(7-11)3-6-23-19(14)25/h1-2,4-5,7-10H,3,6H2,(H2,21,24)(H,23,25)
InChIKeyHYPFGHUEIYDXCZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.82
Rot. Bonds2

About 6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one

6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 122588299) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID122588299
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESNc1ncc(-c2cnccc2F)cc1-c1ccc2c(c1)CCNC2=O
InChIInChI=1S/C19H15FN4O/c20-17-4-5-22-10-16(17)13-8-15(18(21)24-9-13)11-1-2-14-12(7-11)3-6-23-19(14)25/h1-2,4-5,7-10H,3,6H2,(H2,21,24)(H,23,25)
InChIKeyHYPFGHUEIYDXCZ-UHFFFAOYSA-N
XLogP2.82
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one (CID 122588299) is 6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one is Nc1ncc(-c2cnccc2F)cc1-c1ccc2c(c1)CCNC2=O.
What is the InChIKey of 6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is HYPFGHUEIYDXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c20-17-4-5-22-10-16(17)13-8-15(18(21)24-9-13)11-1-2-14-12(7-11)3-6-23-19(14)25/h1-2,4-5,7-10H,3,6H2,(H2,21,24)(H,23,25).
What are the key properties of 6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 334.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-5-(4-fluoro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 122588299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).