N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide

C21H15FN8O — CID 10341704

IUPACN-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H15FN8O/c1-13(31)25-18-10-15(8-9-23-18)17-11-29(20-7-6-19-26-24-12-30(19)27-20)28-21(17)14-2-4-16(22)5-3-14/h2-12H,1H3,(H,23,25,31)
InChIKeyMUDZMWFCWJNHFK-UHFFFAOYSA-N
MW414.40 g/mol
LogP3.14
Rot. Bonds4

About N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide

N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 10341704) has the molecular formula C21H15FN8O and a molecular weight of 414.40 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide
PubChem CID10341704
Molecular FormulaC21H15FN8O
Molecular Weight414.40 g/mol
Exact Mass414.14
IUPAC NameN-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H15FN8O/c1-13(31)25-18-10-15(8-9-23-18)17-11-29(20-7-6-19-26-24-12-30(19)27-20)28-21(17)14-2-4-16(22)5-3-14/h2-12H,1H3,(H,23,25,31)
InChIKeyMUDZMWFCWJNHFK-UHFFFAOYSA-N
XLogP3.14
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide (CID 10341704) is N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is MUDZMWFCWJNHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN8O/c1-13(31)25-18-10-15(8-9-23-18)17-11-29(20-7-6-19-26-24-12-30(19)27-20)28-21(17)14-2-4-16(22)5-3-14/h2-12H,1H3,(H,23,25,31).
What are the key properties of N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide?
N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 414.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 10341704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).