2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine

C26H32N4S — CID 143298204

IUPAC2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
SMILESCCc1cccc(-c2cc(C)c(-c3c(CC)nc4c(C(CC)CC)cc(C)nn34)s2)n1
InChIInChI=1S/C26H32N4S/c1-7-18(8-2)20-15-17(6)29-30-24(21(10-4)28-26(20)30)25-16(5)14-23(31-25)22-13-11-12-19(9-3)27-22/h11-15,18H,7-10H2,1-6H3
InChIKeyZQLQBIACXNIGRZ-UHFFFAOYSA-N
MW432.64 g/mol
LogP7.17
Rot. Bonds7

About 2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine

2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine (PubChem CID 143298204) has the molecular formula C26H32N4S and a molecular weight of 432.64 g/mol. Its IUPAC name is 2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
PubChem CID143298204
Molecular FormulaC26H32N4S
Molecular Weight432.64 g/mol
Exact Mass432.23
IUPAC Name2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
SMILESCCc1cccc(-c2cc(C)c(-c3c(CC)nc4c(C(CC)CC)cc(C)nn34)s2)n1
InChIInChI=1S/C26H32N4S/c1-7-18(8-2)20-15-17(6)29-30-24(21(10-4)28-26(20)30)25-16(5)14-23(31-25)22-13-11-12-19(9-3)27-22/h11-15,18H,7-10H2,1-6H3
InChIKeyZQLQBIACXNIGRZ-UHFFFAOYSA-N
XLogP7.17
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.64
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine (CID 143298204) is 2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine is CCc1cccc(-c2cc(C)c(-c3c(CC)nc4c(C(CC)CC)cc(C)nn34)s2)n1.
What is the InChIKey of 2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine?
The InChIKey is ZQLQBIACXNIGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4S/c1-7-18(8-2)20-15-17(6)29-30-24(21(10-4)28-26(20)30)25-16(5)14-23(31-25)22-13-11-12-19(9-3)27-22/h11-15,18H,7-10H2,1-6H3.
What are the key properties of 2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine?
2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine has a molecular weight of 432.64 g/mol, XLogP of 7.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 143298204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).