3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide

C23H25ClN6O2S — CID 134155258

IUPAC3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide
SMILESCCc1cc(CNc2cc(Cl)nn3c(-c4cccc(S(=O)(=O)N(C)C)c4)c(C)nc23)ccn1
InChIInChI=1S/C23H25ClN6O2S/c1-5-18-11-16(9-10-25-18)14-26-20-13-21(24)28-30-22(15(2)27-23(20)30)17-7-6-8-19(12-17)33(31,32)29(3)4/h6-13,26H,5,14H2,1-4H3
InChIKeyCQMONRYGXXVSNA-UHFFFAOYSA-N
MW485.01 g/mol
LogP4.18
Rot. Bonds7

About 3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide

3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 134155258) has the molecular formula C23H25ClN6O2S and a molecular weight of 485.01 g/mol. Its IUPAC name is 3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID134155258
Molecular FormulaC23H25ClN6O2S
Molecular Weight485.01 g/mol
Exact Mass484.14
IUPAC Name3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide
SMILESCCc1cc(CNc2cc(Cl)nn3c(-c4cccc(S(=O)(=O)N(C)C)c4)c(C)nc23)ccn1
InChIInChI=1S/C23H25ClN6O2S/c1-5-18-11-16(9-10-25-18)14-26-20-13-21(24)28-30-22(15(2)27-23(20)30)17-7-6-8-19(12-17)33(31,32)29(3)4/h6-13,26H,5,14H2,1-4H3
InChIKeyCQMONRYGXXVSNA-UHFFFAOYSA-N
XLogP4.18
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide (CID 134155258) is 3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide is CCc1cc(CNc2cc(Cl)nn3c(-c4cccc(S(=O)(=O)N(C)C)c4)c(C)nc23)ccn1.
What is the InChIKey of 3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is CQMONRYGXXVSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2S/c1-5-18-11-16(9-10-25-18)14-26-20-13-21(24)28-30-22(15(2)27-23(20)30)17-7-6-8-19(12-17)33(31,32)29(3)4/h6-13,26H,5,14H2,1-4H3.
What are the key properties of 3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide?
3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 485.01 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 134155258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).