4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine

C27H21FN8 — CID 10096527

IUPAC4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
SMILESCC(Nc1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1
InChIInChI=1S/C27H21FN8/c1-18(19-5-3-2-4-6-19)31-24-15-21(13-14-29-24)23-16-35(26-12-11-25-32-30-17-36(25)33-26)34-27(23)20-7-9-22(28)10-8-20/h2-18H,1H3,(H,29,31)
InChIKeyZSYFRLBQHCTAAN-UHFFFAOYSA-N
MW476.52 g/mol
LogP5.35
Rot. Bonds6

About 4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine

4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine (PubChem CID 10096527) has the molecular formula C27H21FN8 and a molecular weight of 476.52 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
PubChem CID10096527
Molecular FormulaC27H21FN8
Molecular Weight476.52 g/mol
Exact Mass476.19
IUPAC Name4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
SMILESCC(Nc1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1
InChIInChI=1S/C27H21FN8/c1-18(19-5-3-2-4-6-19)31-24-15-21(13-14-29-24)23-16-35(26-12-11-25-32-30-17-36(25)33-26)34-27(23)20-7-9-22(28)10-8-20/h2-18H,1H3,(H,29,31)
InChIKeyZSYFRLBQHCTAAN-UHFFFAOYSA-N
XLogP5.35
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.52
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-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 4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine (CID 10096527) is 4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine is CC(Nc1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine?
The InChIKey is ZSYFRLBQHCTAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN8/c1-18(19-5-3-2-4-6-19)31-24-15-21(13-14-29-24)23-16-35(26-12-11-25-32-30-17-36(25)33-26)34-27(23)20-7-9-22(28)10-8-20/h2-18H,1H3,(H,29,31).
What are the key properties of 4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine?
4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine has a molecular weight of 476.52 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 10096527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).