1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one

C23H31N5OS — CID 143298301

IUPAC1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one
SMILESCCCC(CC)c1cc(C)nn2c(-c3sc(N4CCC(=O)CC4)nc3C)c(C)nc12
InChIInChI=1S/C23H31N5OS/c1-6-8-17(7-2)19-13-14(3)26-28-20(15(4)24-22(19)28)21-16(5)25-23(30-21)27-11-9-18(29)10-12-27/h13,17H,6-12H2,1-5H3
InChIKeyWFOQDPIRYCIBEE-UHFFFAOYSA-N
MW425.60 g/mol
LogP5.24
Rot. Bonds6

About 1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one

1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one (PubChem CID 143298301) has the molecular formula C23H31N5OS and a molecular weight of 425.60 g/mol. Its IUPAC name is 1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one
PubChem CID143298301
Molecular FormulaC23H31N5OS
Molecular Weight425.60 g/mol
Exact Mass425.22
IUPAC Name1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one
SMILESCCCC(CC)c1cc(C)nn2c(-c3sc(N4CCC(=O)CC4)nc3C)c(C)nc12
InChIInChI=1S/C23H31N5OS/c1-6-8-17(7-2)19-13-14(3)26-28-20(15(4)24-22(19)28)21-16(5)25-23(30-21)27-11-9-18(29)10-12-27/h13,17H,6-12H2,1-5H3
InChIKeyWFOQDPIRYCIBEE-UHFFFAOYSA-N
XLogP5.24
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.60
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one?
The IUPAC name of 1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one (CID 143298301) is 1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one?
The canonical SMILES for 1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one is CCCC(CC)c1cc(C)nn2c(-c3sc(N4CCC(=O)CC4)nc3C)c(C)nc12.
What is the InChIKey of 1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one?
The InChIKey is WFOQDPIRYCIBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5OS/c1-6-8-17(7-2)19-13-14(3)26-28-20(15(4)24-22(19)28)21-16(5)25-23(30-21)27-11-9-18(29)10-12-27/h13,17H,6-12H2,1-5H3.
What are the key properties of 1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one?
1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one has a molecular weight of 425.60 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one is sourced from PubChem (CID 143298301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).