N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide

C22H15F3N6O — CID 58447900

IUPACN-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccnnc2)c(C(F)(F)F)c1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H15F3N6O/c23-22(24,25)18-9-14(1-3-17(18)15-5-6-29-30-12-15)10-21(32)31-20-4-2-16(11-28-20)19-13-26-7-8-27-19/h1-9,11-13H,10H2,(H,28,31,32)
InChIKeyIXUONQDRNSJHDC-UHFFFAOYSA-N
MW436.40 g/mol
LogP4.20
Rot. Bonds5

About N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide

N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 58447900) has the molecular formula C22H15F3N6O and a molecular weight of 436.40 g/mol. Its IUPAC name is N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide
PubChem CID58447900
Molecular FormulaC22H15F3N6O
Molecular Weight436.40 g/mol
Exact Mass436.13
IUPAC NameN-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccnnc2)c(C(F)(F)F)c1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H15F3N6O/c23-22(24,25)18-9-14(1-3-17(18)15-5-6-29-30-12-15)10-21(32)31-20-4-2-16(11-28-20)19-13-26-7-8-27-19/h1-9,11-13H,10H2,(H,28,31,32)
InChIKeyIXUONQDRNSJHDC-UHFFFAOYSA-N
XLogP4.20
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide (CID 58447900) is N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(-c2ccnnc2)c(C(F)(F)F)c1)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IXUONQDRNSJHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6O/c23-22(24,25)18-9-14(1-3-17(18)15-5-6-29-30-12-15)10-21(32)31-20-4-2-16(11-28-20)19-13-26-7-8-27-19/h1-9,11-13H,10H2,(H,28,31,32).
What are the key properties of N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide?
N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 436.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 58447900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).