2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine

C24H31FN6O3S — CID 121427476

IUPAC2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCCc1c(F)cccc1Cc1c(CN2CCS(=O)(=O)CC2)nc2c(N)cc(N3CCOCC3)nn12
InChIInChI=1S/C24H31FN6O3S/c1-2-18-17(4-3-5-19(18)25)14-22-21(16-29-8-12-35(32,33)13-9-29)27-24-20(26)15-23(28-31(22)24)30-6-10-34-11-7-30/h3-5,15H,2,6-14,16,26H2,1H3
InChIKeyBIENLSKWQBARSK-UHFFFAOYSA-N
MW502.62 g/mol
LogP1.67
Rot. Bonds6

About 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 121427476) has the molecular formula C24H31FN6O3S and a molecular weight of 502.62 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
PubChem CID121427476
Molecular FormulaC24H31FN6O3S
Molecular Weight502.62 g/mol
Exact Mass502.22
IUPAC Name2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCCc1c(F)cccc1Cc1c(CN2CCS(=O)(=O)CC2)nc2c(N)cc(N3CCOCC3)nn12
InChIInChI=1S/C24H31FN6O3S/c1-2-18-17(4-3-5-19(18)25)14-22-21(16-29-8-12-35(32,33)13-9-29)27-24-20(26)15-23(28-31(22)24)30-6-10-34-11-7-30/h3-5,15H,2,6-14,16,26H2,1H3
InChIKeyBIENLSKWQBARSK-UHFFFAOYSA-N
XLogP1.67
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine (CID 121427476) is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine is CCc1c(F)cccc1Cc1c(CN2CCS(=O)(=O)CC2)nc2c(N)cc(N3CCOCC3)nn12.
What is the InChIKey of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The InChIKey is BIENLSKWQBARSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O3S/c1-2-18-17(4-3-5-19(18)25)14-22-21(16-29-8-12-35(32,33)13-9-29)27-24-20(26)15-23(28-31(22)24)30-6-10-34-11-7-30/h3-5,15H,2,6-14,16,26H2,1H3.
What are the key properties of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 502.62 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 121427476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).