2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine

C22H26N4S — CID 141238444

IUPAC2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine
SMILESCCC(CC)c1cc(C)nn2c(-c3sc(-c4ccc[nH]4)cc3C)c(C)nc12
InChIInChI=1S/C22H26N4S/c1-6-16(7-2)17-12-14(4)25-26-20(15(5)24-22(17)26)21-13(3)11-19(27-21)18-9-8-10-23-18/h8-12,16,23H,6-7H2,1-5H3
InChIKeyVZWSWXANDKKIOE-UHFFFAOYSA-N
MW378.55 g/mol
LogP6.28
Rot. Bonds5

About 2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine

2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine (PubChem CID 141238444) has the molecular formula C22H26N4S and a molecular weight of 378.55 g/mol. Its IUPAC name is 2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine
PubChem CID141238444
Molecular FormulaC22H26N4S
Molecular Weight378.55 g/mol
Exact Mass378.19
IUPAC Name2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine
SMILESCCC(CC)c1cc(C)nn2c(-c3sc(-c4ccc[nH]4)cc3C)c(C)nc12
InChIInChI=1S/C22H26N4S/c1-6-16(7-2)17-12-14(4)25-26-20(15(5)24-22(17)26)21-13(3)11-19(27-21)18-9-8-10-23-18/h8-12,16,23H,6-7H2,1-5H3
InChIKeyVZWSWXANDKKIOE-UHFFFAOYSA-N
XLogP6.28
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 143298204
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 87595703
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 142781761
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 141238451
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N,N,4-trimethyl-1H-pyrrol-2-amine
CID 141238449
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-methyl-N-propyl-1,3-thiazol-2-amine
CID 68841641
2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile
CID 68841697
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-[[(Z)-prop-1-enyl]sulfanylmethyl]-1,3-thiazole
CID 143298235
3-[[5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]-methylamino]propanenitrile
CID 68841682
3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 141238447
3-chloro-2-[2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)thiophen-3-yl]-2H-1,3-thiazole
CID 87597181
3-[5-(chloromethyl)-1H-indol-2-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 136592155

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine (CID 141238444) is 2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine is CCC(CC)c1cc(C)nn2c(-c3sc(-c4ccc[nH]4)cc3C)c(C)nc12.
What is the InChIKey of 2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine?
The InChIKey is VZWSWXANDKKIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4S/c1-6-16(7-2)17-12-14(4)25-26-20(15(5)24-22(17)26)21-13(3)11-19(27-21)18-9-8-10-23-18/h8-12,16,23H,6-7H2,1-5H3.
What are the key properties of 2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine?
2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine has a molecular weight of 378.55 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 141238444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).