N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

C17H14N6O2S — CID 10172462

IUPACN-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C17H14N6O2S/c1-26(24,25)13-6-4-12(5-7-13)21-17-18-10-8-15(22-17)14-11-20-23-16(14)3-2-9-19-23/h2-11H,1H3,(H,18,21,22)
InChIKeyZGPQUFZDMCAFGN-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.33
Rot. Bonds4

About N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 10172462) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID10172462
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C17H14N6O2S/c1-26(24,25)13-6-4-12(5-7-13)21-17-18-10-8-15(22-17)14-11-20-23-16(14)3-2-9-19-23/h2-11H,1H3,(H,18,21,22)
InChIKeyZGPQUFZDMCAFGN-UHFFFAOYSA-N
XLogP2.33
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 57336812
CID 57336812
CID 6539377
CID 6539377
CID 6539379
CID 6539379
CID 68319455
CID 68319455
CID 6539359
CID 6539359
CID 6539364
CID 6539364
CID 6539365
CID 6539365
CID 6539366
CID 6539366
CID 6539370
CID 6539370
CID 6539399
CID 6539399
CID 6539405
CID 6539405
CID 6539429
CID 6539429

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 10172462) is N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is CS(=O)(=O)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is ZGPQUFZDMCAFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-26(24,25)13-6-4-12(5-7-13)21-17-18-10-8-15(22-17)14-11-20-23-16(14)3-2-9-19-23/h2-11H,1H3,(H,18,21,22).
What are the key properties of N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 366.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 10172462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).