N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine

C14H14FN7 — CID 58303560

IUPACN-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine
SMILESF[C@@H]1CNC[C@@H]1Nc1cncc(-c2cnc3cccnn23)n1
InChIInChI=1S/C14H14FN7/c15-9-4-16-5-10(9)20-13-8-17-6-11(21-13)12-7-18-14-2-1-3-19-22(12)14/h1-3,6-10,16H,4-5H2,(H,20,21)/t9-,10+/m1/s1
InChIKeyADGTWFYFFSFMNO-ZJUUUORDSA-N
MW299.31 g/mol
LogP0.91
Rot. Bonds3

About N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine

N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine (PubChem CID 58303560) has the molecular formula C14H14FN7 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine
PubChem CID58303560
Molecular FormulaC14H14FN7
Molecular Weight299.31 g/mol
Exact Mass299.13
IUPAC NameN-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine
SMILESF[C@@H]1CNC[C@@H]1Nc1cncc(-c2cnc3cccnn23)n1
InChIInChI=1S/C14H14FN7/c15-9-4-16-5-10(9)20-13-8-17-6-11(21-13)12-7-18-14-2-1-3-19-22(12)14/h1-3,6-10,16H,4-5H2,(H,20,21)/t9-,10+/m1/s1
InChIKeyADGTWFYFFSFMNO-ZJUUUORDSA-N
XLogP0.91
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine?
The IUPAC name of N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine (CID 58303560) is N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine.
What is the SMILES notation for N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine?
The canonical SMILES for N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine is F[C@@H]1CNC[C@@H]1Nc1cncc(-c2cnc3cccnn23)n1.
What is the InChIKey of N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine?
The InChIKey is ADGTWFYFFSFMNO-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H14FN7/c15-9-4-16-5-10(9)20-13-8-17-6-11(21-13)12-7-18-14-2-1-3-19-22(12)14/h1-3,6-10,16H,4-5H2,(H,20,21)/t9-,10+/m1/s1.
What are the key properties of N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine?
N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine has a molecular weight of 299.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine is sourced from PubChem (CID 58303560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).