N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

C17H19F3N8O4S — CID 155860914

IUPACN-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NCC1CN(c2ccc3nncn3n2)Cc2ccnn21)C1CC1
InChIInChI=1S/C15H18N8O2S.C2HF3O2/c24-26(25,13-1-2-13)18-7-12-9-21(8-11-5-6-17-23(11)12)15-4-3-14-19-16-10-22(14)20-15;3-2(4,5)1(6)7/h3-6,10,12-13,18H,1-2,7-9H2;(H,6,7)
InChIKeyPAHJNJMSLZLGTF-UHFFFAOYSA-N
MW488.45 g/mol
LogP0.60
Rot. Bonds5

About N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155860914) has the molecular formula C17H19F3N8O4S and a molecular weight of 488.45 g/mol. Its IUPAC name is N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155860914
Molecular FormulaC17H19F3N8O4S
Molecular Weight488.45 g/mol
Exact Mass488.12
IUPAC NameN-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NCC1CN(c2ccc3nncn3n2)Cc2ccnn21)C1CC1
InChIInChI=1S/C15H18N8O2S.C2HF3O2/c24-26(25,13-1-2-13)18-7-12-9-21(8-11-5-6-17-23(11)12)15-4-3-14-19-16-10-22(14)20-15;3-2(4,5)1(6)7/h3-6,10,12-13,18H,1-2,7-9H2;(H,6,7)
InChIKeyPAHJNJMSLZLGTF-UHFFFAOYSA-N
XLogP0.60
TPSA147.61 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid 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-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (CID 155860914) is N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=S(=O)(NCC1CN(c2ccc3nncn3n2)Cc2ccnn21)C1CC1.
What is the InChIKey of N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is PAHJNJMSLZLGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O2S.C2HF3O2/c24-26(25,13-1-2-13)18-7-12-9-21(8-11-5-6-17-23(11)12)15-4-3-14-19-16-10-22(14)20-15;3-2(4,5)1(6)7/h3-6,10,12-13,18H,1-2,7-9H2;(H,6,7).
What are the key properties of N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 488.45 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).