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

C27H21FN8 — CID 69414412

IUPAC4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine
SMILESFc1ccc(-c2nn(-c3ccc4nncn4n3)cc2-c2ccnc(NCCc3ccccc3)c2)cc1
InChIInChI=1S/C27H21FN8/c28-22-8-6-20(7-9-22)27-23(17-35(34-27)26-11-10-25-32-31-18-36(25)33-26)21-13-15-30-24(16-21)29-14-12-19-4-2-1-3-5-19/h1-11,13,15-18H,12,14H2,(H,29,30)
InChIKeySSVLDYYLLUKAAO-UHFFFAOYSA-N
MW476.52 g/mol
LogP4.83
Rot. Bonds7

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

4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine (PubChem CID 69414412) 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-(2-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-(2-phenylethyl)pyridin-2-amine
PubChem CID69414412
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-(2-phenylethyl)pyridin-2-amine
SMILESFc1ccc(-c2nn(-c3ccc4nncn4n3)cc2-c2ccnc(NCCc3ccccc3)c2)cc1
InChIInChI=1S/C27H21FN8/c28-22-8-6-20(7-9-22)27-23(17-35(34-27)26-11-10-25-32-31-18-36(25)33-26)21-13-15-30-24(16-21)29-14-12-19-4-2-1-3-5-19/h1-11,13,15-18H,12,14H2,(H,29,30)
InChIKeySSVLDYYLLUKAAO-UHFFFAOYSA-N
XLogP4.83
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 54.83
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-(2-phenylethyl)pyridin-2-amine with MolForge

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Related Compounds

CID 25126798
CID 25126798
CID 118023034
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CID 11198924
CID 11198924
CID 46911863
CID 46911863
CID 60143346
CID 60143346
CID 129103609
CID 129103609
CID 54766013
CID 54766013
CID 46885626
CID 46885626
CID 118981804
CID 118981804
CID 24905142
CID 24905142
CID 9798973
CID 9798973
CID 71533696
CID 71533696

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-(2-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-(2-phenylethyl)pyridin-2-amine (CID 69414412) is 4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(2-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-(2-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-(2-phenylethyl)pyridin-2-amine is Fc1ccc(-c2nn(-c3ccc4nncn4n3)cc2-c2ccnc(NCCc3ccccc3)c2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine?
The InChIKey is SSVLDYYLLUKAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN8/c28-22-8-6-20(7-9-22)27-23(17-35(34-27)26-11-10-25-32-31-18-36(25)33-26)21-13-15-30-24(16-21)29-14-12-19-4-2-1-3-5-19/h1-11,13,15-18H,12,14H2,(H,29,30).
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-(2-phenylethyl)pyridin-2-amine?
4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine has a molecular weight of 476.52 g/mol, XLogP of 4.83, 7 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-(2-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 69414412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).