6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine

C16H11FN4 — CID 118577045

IUPAC6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
SMILESNc1c(F)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
InChIKeyKAXAUWZJVWGFDO-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.30
Rot. Bonds1

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

6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine (PubChem CID 118577045) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine.

Molecular Properties

Compound Name6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
PubChem CID118577045
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
SMILESNc1c(F)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
InChIKeyKAXAUWZJVWGFDO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
The IUPAC name of 6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine (CID 118577045) is 6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine.
What is the SMILES notation for 6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
The canonical SMILES for 6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine is Nc1c(F)ccc2cnc(-n3ccc4ccncc43)cc12.
What is the InChIKey of 6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
The InChIKey is KAXAUWZJVWGFDO-UHFFFAOYSA-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.
What are the key properties of 6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?
6-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-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine is sourced from PubChem (CID 118577045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).