8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine

C14H9FN4 — CID 118711125

IUPAC8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine
SMILESNc1cc2[nH]ncc2c2c1ncc1c(F)cccc12
InChIInChI=1S/C14H9FN4/c15-10-3-1-2-7-8(10)5-17-14-11(16)4-12-9(13(7)14)6-18-19-12/h1-6H,16H2,(H,18,19)
InChIKeyGLCZIHHDCJHBAD-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.99
Rot. Bonds

About 8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine

8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine (PubChem CID 118711125) has the molecular formula C14H9FN4 and a molecular weight of 252.25 g/mol. Its IUPAC name is 8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine.

Molecular Properties

Compound Name8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine
PubChem CID118711125
Molecular FormulaC14H9FN4
Molecular Weight252.25 g/mol
Exact Mass252.08
IUPAC Name8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine
SMILESNc1cc2[nH]ncc2c2c1ncc1c(F)cccc12
InChIInChI=1S/C14H9FN4/c15-10-3-1-2-7-8(10)5-17-14-11(16)4-12-9(13(7)14)6-18-19-12/h1-6H,16H2,(H,18,19)
InChIKeyGLCZIHHDCJHBAD-UHFFFAOYSA-N
XLogP2.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine?
The IUPAC name of 8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine (CID 118711125) is 8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine.
What is the SMILES notation for 8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine?
The canonical SMILES for 8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine is Nc1cc2[nH]ncc2c2c1ncc1c(F)cccc12.
What is the InChIKey of 8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine?
The InChIKey is GLCZIHHDCJHBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4/c15-10-3-1-2-7-8(10)5-17-14-11(16)4-12-9(13(7)14)6-18-19-12/h1-6H,16H2,(H,18,19).
What are the key properties of 8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine?
8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine has a molecular weight of 252.25 g/mol, XLogP of 2.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine is sourced from PubChem (CID 118711125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).