N-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide

C18H17N5O3S — CID 25104760

IUPACN-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide
SMILESCN(c1ccc2ncc(-c3cccc(NS(C)(=O)=O)c3)n2n1)c1ccco1
InChIInChI=1S/C18H17N5O3S/c1-22(18-7-4-10-26-18)17-9-8-16-19-12-15(23(16)20-17)13-5-3-6-14(11-13)21-27(2,24)25/h3-12,21H,1-2H3
InChIKeyOWZQYTNYDTZETG-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.13
Rot. Bonds5

About N-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide

N-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide (PubChem CID 25104760) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide
PubChem CID25104760
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide
SMILESCN(c1ccc2ncc(-c3cccc(NS(C)(=O)=O)c3)n2n1)c1ccco1
InChIInChI=1S/C18H17N5O3S/c1-22(18-7-4-10-26-18)17-9-8-16-19-12-15(23(16)20-17)13-5-3-6-14(11-13)21-27(2,24)25/h3-12,21H,1-2H3
InChIKeyOWZQYTNYDTZETG-UHFFFAOYSA-N
XLogP3.13
TPSA92.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide (CID 25104760) is N-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide is CN(c1ccc2ncc(-c3cccc(NS(C)(=O)=O)c3)n2n1)c1ccco1.
What is the InChIKey of N-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide?
The InChIKey is OWZQYTNYDTZETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-22(18-7-4-10-26-18)17-9-8-16-19-12-15(23(16)20-17)13-5-3-6-14(11-13)21-27(2,24)25/h3-12,21H,1-2H3.
What are the key properties of N-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide?
N-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide has a molecular weight of 383.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[furan-2-yl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 25104760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).