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

C23H29FN6O3S — CID 121427471

IUPAC2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCc1c(F)cccc1Cc1c(CN2CCS(=O)(=O)CC2)nc2c(N)cc(N3CCOCC3)nn12
InChIInChI=1S/C23H29FN6O3S/c1-16-17(3-2-4-18(16)24)13-21-20(15-28-7-11-34(31,32)12-8-28)26-23-19(25)14-22(27-30(21)23)29-5-9-33-10-6-29/h2-4,14H,5-13,15,25H2,1H3
InChIKeyXSEQBKLDZZZFRJ-UHFFFAOYSA-N
MW488.59 g/mol
LogP1.42
Rot. Bonds5

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

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 121427471) has the molecular formula C23H29FN6O3S and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(3-fluoro-2-methylphenyl)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-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
PubChem CID121427471
Molecular FormulaC23H29FN6O3S
Molecular Weight488.59 g/mol
Exact Mass488.20
IUPAC Name2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCc1c(F)cccc1Cc1c(CN2CCS(=O)(=O)CC2)nc2c(N)cc(N3CCOCC3)nn12
InChIInChI=1S/C23H29FN6O3S/c1-16-17(3-2-4-18(16)24)13-21-20(15-28-7-11-34(31,32)12-8-28)26-23-19(25)14-22(27-30(21)23)29-5-9-33-10-6-29/h2-4,14H,5-13,15,25H2,1H3
InChIKeyXSEQBKLDZZZFRJ-UHFFFAOYSA-N
XLogP1.42
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(3-fluoro-2-methylphenyl)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-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine (CID 121427471) is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(3-fluoro-2-methylphenyl)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-[(3-fluoro-2-methylphenyl)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-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine is Cc1c(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-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The InChIKey is XSEQBKLDZZZFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O3S/c1-16-17(3-2-4-18(16)24)13-21-20(15-28-7-11-34(31,32)12-8-28)26-23-19(25)14-22(27-30(21)23)29-5-9-33-10-6-29/h2-4,14H,5-13,15,25H2,1H3.
What are the key properties of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 488.59 g/mol, XLogP of 1.42, 5 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-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 121427471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).