6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine

C16H11FN4 — CID 169440714

IUPAC6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
SMILESNc1c([19F])ccc2cnc(-n3ccc4ccncc43)cc12
InChIInChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2/i17+0
InChIKeyKAXAUWZJVWGFDO-PJYZWREQSA-N
MW278.29 g/mol
LogP3.30
Rot. Bonds1

About 6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine

6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine (PubChem CID 169440714) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine.

Molecular Properties

Compound Name6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
PubChem CID169440714
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
SMILESNc1c([19F])ccc2cnc(-n3ccc4ccncc43)cc12
InChIInChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2/i17+0
InChIKeyKAXAUWZJVWGFDO-PJYZWREQSA-N
XLogP3.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
CID 118577045
1-fluoro-7-pyrrolo[2,3-c]pyridin-1-yl-2,6-naphthyridine
CID 118577050
6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-7-amine
CID 118585652
potassium;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-nitro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-yl)carbamate;fluorine-18(1-);6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
CID 159745990
7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine
CID 118585733
1-methoxy-7-pyrrolo[2,3-c]pyridin-1-yl-2,6-naphthyridine
CID 118577056
8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
CID 144977078
N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
CID 155584602
5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
CID 118585714
4-pyrrolo[2,3-c]pyridin-1-ylpyrimidin-2-amine
CID 71580743
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-yl)carbamate
CID 137332643
3-indol-1-ylisoquinolin-6-amine
CID 164820532

Frequently Asked Questions

What is the IUPAC name of 6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
The IUPAC name of 6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine (CID 169440714) is 6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine.
What is the SMILES notation for 6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
The canonical SMILES for 6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine is Nc1c([19F])ccc2cnc(-n3ccc4ccncc43)cc12.
What is the InChIKey of 6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
The InChIKey is KAXAUWZJVWGFDO-PJYZWREQSA-N. The full InChI is InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2/i17+0.
What are the key properties of 6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine has a molecular weight of 278.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine is sourced from PubChem (CID 169440714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).