4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide

C17H17N7O2S — CID 58857834

IUPAC4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
SMILESCn1cc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cn1
InChIInChI=1S/C17H17N7O2S/c1-23-11-13(9-21-23)15-10-20-17-7-6-16(22-24(15)17)19-8-12-2-4-14(5-3-12)27(18,25)26/h2-7,9-11H,8H2,1H3,(H,19,22)(H2,18,25,26)
InChIKeyWQKHFBHWNJKKSD-UHFFFAOYSA-N
MW383.44 g/mol
LogP1.39
Rot. Bonds5

About 4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide

4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide (PubChem CID 58857834) has the molecular formula C17H17N7O2S and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
PubChem CID58857834
Molecular FormulaC17H17N7O2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
SMILESCn1cc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cn1
InChIInChI=1S/C17H17N7O2S/c1-23-11-13(9-21-23)15-10-20-17-7-6-16(22-24(15)17)19-8-12-2-4-14(5-3-12)27(18,25)26/h2-7,9-11H,8H2,1H3,(H,19,22)(H2,18,25,26)
InChIKeyWQKHFBHWNJKKSD-UHFFFAOYSA-N
XLogP1.39
TPSA120.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide (CID 58857834) is 4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide is Cn1cc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cn1.
What is the InChIKey of 4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The InChIKey is WQKHFBHWNJKKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2S/c1-23-11-13(9-21-23)15-10-20-17-7-6-16(22-24(15)17)19-8-12-2-4-14(5-3-12)27(18,25)26/h2-7,9-11H,8H2,1H3,(H,19,22)(H2,18,25,26).
What are the key properties of 4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide has a molecular weight of 383.44 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 58857834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).