5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide

C26H32ClN7O3S — CID 134155918

IUPAC5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
SMILESCCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)NCCN(C)C)c4)c(C)nc23)ccn1
InChIInChI=1S/C26H32ClN7O3S/c1-6-20-13-18(9-10-28-20)16-29-21-15-24(27)32-34-25(17(2)31-26(21)34)19-7-8-22(37-5)23(14-19)38(35,36)30-11-12-33(3)4/h7-10,13-15,29-30H,6,11-12,16H2,1-5H3
InChIKeyLNQKCCGKHNFWRD-UHFFFAOYSA-N
MW558.11 g/mol
LogP3.78
Rot. Bonds11

About 5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide

5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 134155918) has the molecular formula C26H32ClN7O3S and a molecular weight of 558.11 g/mol. Its IUPAC name is 5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
PubChem CID134155918
Molecular FormulaC26H32ClN7O3S
Molecular Weight558.11 g/mol
Exact Mass557.20
IUPAC Name5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
SMILESCCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)NCCN(C)C)c4)c(C)nc23)ccn1
InChIInChI=1S/C26H32ClN7O3S/c1-6-20-13-18(9-10-28-20)16-29-21-15-24(27)32-34-25(17(2)31-26(21)34)19-7-8-22(37-5)23(14-19)38(35,36)30-11-12-33(3)4/h7-10,13-15,29-30H,6,11-12,16H2,1-5H3
InChIKeyLNQKCCGKHNFWRD-UHFFFAOYSA-N
XLogP3.78
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.11
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide (CID 134155918) is 5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide is CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)NCCN(C)C)c4)c(C)nc23)ccn1.
What is the InChIKey of 5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is LNQKCCGKHNFWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN7O3S/c1-6-20-13-18(9-10-28-20)16-29-21-15-24(27)32-34-25(17(2)31-26(21)34)19-7-8-22(37-5)23(14-19)38(35,36)30-11-12-33(3)4/h7-10,13-15,29-30H,6,11-12,16H2,1-5H3.
What are the key properties of 5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide?
5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 558.11 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 134155918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).