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

C17H20Br2N4 — CID 141238447

IUPAC3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
SMILESCCC(CC)c1cc(C)nn2c(-c3cc(Br)[nH]c3Br)c(C)nc12
InChIInChI=1S/C17H20Br2N4/c1-5-11(6-2)12-7-9(3)22-23-15(10(4)20-17(12)23)13-8-14(18)21-16(13)19/h7-8,11,21H,5-6H2,1-4H3
InChIKeyUVFKYMPHEAHJIH-UHFFFAOYSA-N
MW440.18 g/mol
LogP5.77
Rot. Bonds4

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

3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine (PubChem CID 141238447) has the molecular formula C17H20Br2N4 and a molecular weight of 440.18 g/mol. Its IUPAC name is 3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
PubChem CID141238447
Molecular FormulaC17H20Br2N4
Molecular Weight440.18 g/mol
Exact Mass438.01
IUPAC Name3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
SMILESCCC(CC)c1cc(C)nn2c(-c3cc(Br)[nH]c3Br)c(C)nc12
InChIInChI=1S/C17H20Br2N4/c1-5-11(6-2)12-7-9(3)22-23-15(10(4)20-17(12)23)13-8-14(18)21-16(13)19/h7-8,11,21H,5-6H2,1-4H3
InChIKeyUVFKYMPHEAHJIH-UHFFFAOYSA-N
XLogP5.77
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.18
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N,N,4-trimethyl-1H-pyrrol-2-amine
CID 141238449
3-[5-(chloromethyl)-1H-indol-2-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 136592155
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)-N-methyl-N-propyl-1,3-thiazol-2-amine
CID 68841641
2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 141238444
3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 68855507
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)-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-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
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine (CID 141238447) is 3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine is CCC(CC)c1cc(C)nn2c(-c3cc(Br)[nH]c3Br)c(C)nc12.
What is the InChIKey of 3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine?
The InChIKey is UVFKYMPHEAHJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Br2N4/c1-5-11(6-2)12-7-9(3)22-23-15(10(4)20-17(12)23)13-8-14(18)21-16(13)19/h7-8,11,21H,5-6H2,1-4H3.
What are the key properties of 3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine?
3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine has a molecular weight of 440.18 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 141238447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).