2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide

C30H28N6O5S — CID 123804677

IUPAC2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide
SMILESCOc1cccc(-c2c(C=Cc3ccc4c(C(=O)NS(C)(=O)=O)cccc4n3)nc3c(N4CCOCC4)ccnn23)c1
InChIInChI=1S/C30H28N6O5S/c1-40-22-6-3-5-20(19-22)28-26(33-29-27(13-14-31-36(28)29)35-15-17-41-18-16-35)12-10-21-9-11-23-24(7-4-8-25(23)32-21)30(37)34-42(2,38)39/h3-14,19H,15-18H2,1-2H3,(H,34,37)
InChIKeyUHZZSJCMZUSRKZ-UHFFFAOYSA-N
MW584.66 g/mol
LogP3.65
Rot. Bonds7

About 2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide

2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide (PubChem CID 123804677) has the molecular formula C30H28N6O5S and a molecular weight of 584.66 g/mol. Its IUPAC name is 2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide.

Molecular Properties

Compound Name2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide
PubChem CID123804677
Molecular FormulaC30H28N6O5S
Molecular Weight584.66 g/mol
Exact Mass584.18
IUPAC Name2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide
SMILESCOc1cccc(-c2c(C=Cc3ccc4c(C(=O)NS(C)(=O)=O)cccc4n3)nc3c(N4CCOCC4)ccnn23)c1
InChIInChI=1S/C30H28N6O5S/c1-40-22-6-3-5-20(19-22)28-26(33-29-27(13-14-31-36(28)29)35-15-17-41-18-16-35)12-10-21-9-11-23-24(7-4-8-25(23)32-21)30(37)34-42(2,38)39/h3-14,19H,15-18H2,1-2H3,(H,34,37)
InChIKeyUHZZSJCMZUSRKZ-UHFFFAOYSA-N
XLogP3.65
TPSA128.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.66
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide with MolForge

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Related Compounds

(E)-2-(2-(3-(3-methoxyphenyl)-8-morpholinoimidazo[1,2-b]pyridazin-2-yl)vinyl)quinoline-5-carboxylic acid
CID 117728432
2-Methoxy-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117728466
N-[5-[4-[(3R)-1-benzoylpyrrolidin-3-yl]oxy-1-methylpyrazolo[5,4-b]pyridin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 145969794
N-[2-methoxy-5-[1-methyl-4-[[(3R)-1-(pyridazine-3-carbonyl)piperidin-3-yl]methoxy]pyrazolo[5,4-b]pyridin-6-yl]-3-pyridinyl]methanesulfonamide
CID 145985060
(E)-4-(2-(2-(3-Methoxyquinolin-2-yl)vinyl)-8-morpholinoimidazo[1,2-b]pyridazin-3-yl)benzoic acid
CID 117728377
2-methoxy-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117728600
4-[2-[(E)-2-(4-methoxyquinolin-2-yl)ethenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117728760
N-methylsulfonyl-2-[(E)-2-(8-morpholin-4-yl-3-phenylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide
CID 117728768
2-Methoxy-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117728802
N-methylsulfonyl-2-[(E)-2-(8-morpholin-4-yl-3-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide
CID 117728894
3-methoxy-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117729026
2-[(E)-2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide
CID 117732538

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide?
The IUPAC name of 2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide (CID 123804677) is 2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide.
What is the SMILES notation for 2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide?
The canonical SMILES for 2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide is COc1cccc(-c2c(C=Cc3ccc4c(C(=O)NS(C)(=O)=O)cccc4n3)nc3c(N4CCOCC4)ccnn23)c1.
What is the InChIKey of 2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide?
The InChIKey is UHZZSJCMZUSRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O5S/c1-40-22-6-3-5-20(19-22)28-26(33-29-27(13-14-31-36(28)29)35-15-17-41-18-16-35)12-10-21-9-11-23-24(7-4-8-25(23)32-21)30(37)34-42(2,38)39/h3-14,19H,15-18H2,1-2H3,(H,34,37).
What are the key properties of 2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide?
2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide has a molecular weight of 584.66 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-methoxyphenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethenyl]-N-methylsulfonylquinoline-5-carboxamide is sourced from PubChem (CID 123804677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).