2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane

C20H29Cl2N7O2S — CID 159691686

IUPAC2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane
SMILESC.C.CC(C)c1ccc2nc(Cl)c(S(N)(=O)=O)n2n1.CC(C)c1ccc2nc(Cl)cn2n1
InChIInChI=1S/C9H11ClN4O2S.C9H10ClN3.2CH4/c1-5(2)6-3-4-7-12-8(10)9(14(7)13-6)17(11,15)16;1-6(2)7-3-4-9-11-8(10)5-13(9)12-7;;/h3-5H,1-2H3,(H2,11,15,16);3-6H,1-2H3;2*1H4
InChIKeyMWMNXNMRJWSSPC-UHFFFAOYSA-N
MW502.47 g/mol
LogP4.93
Rot. Bonds3

About 2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane

2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane (PubChem CID 159691686) has the molecular formula C20H29Cl2N7O2S and a molecular weight of 502.47 g/mol. Its IUPAC name is 2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane.

Molecular Properties

Compound Name2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane
PubChem CID159691686
Molecular FormulaC20H29Cl2N7O2S
Molecular Weight502.47 g/mol
Exact Mass501.15
IUPAC Name2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane
SMILESC.C.CC(C)c1ccc2nc(Cl)c(S(N)(=O)=O)n2n1.CC(C)c1ccc2nc(Cl)cn2n1
InChIInChI=1S/C9H11ClN4O2S.C9H10ClN3.2CH4/c1-5(2)6-3-4-7-12-8(10)9(14(7)13-6)17(11,15)16;1-6(2)7-3-4-9-11-8(10)5-13(9)12-7;;/h3-5H,1-2H3,(H2,11,15,16);3-6H,1-2H3;2*1H4
InChIKeyMWMNXNMRJWSSPC-UHFFFAOYSA-N
XLogP4.93
TPSA120.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane
CID 159560067
2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane)
CID 165080148
1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide
CID 19769464
2-chloroimidazo[1,2-a]pyridine-3-sulfonamide
CID 14422354
2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide
CID 159657109
2-chloroimidazo[1,2-a]pyridine-6-sulfonamide
CID 172558031
2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
CID 84806251
N'-(2-chloro-6-prop-1-enylimidazo[1,2-b]pyridazin-3-yl)sulfonyl-N,N-bis(2-methylpropyl)methanimidamide
CID 68535409
6-ethyl-2-fluoroimidazo[1,2-b]pyridazine-3-sulfonamide
CID 67265921
magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;methane;chloride
CID 158195954
6-chloro-N-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxamide
CID 58216634
2-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-sulfonyl chloride
CID 83823970

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane?
The IUPAC name of 2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane (CID 159691686) is 2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane.
What is the SMILES notation for 2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane?
The canonical SMILES for 2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane is C.C.CC(C)c1ccc2nc(Cl)c(S(N)(=O)=O)n2n1.CC(C)c1ccc2nc(Cl)cn2n1.
What is the InChIKey of 2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane?
The InChIKey is MWMNXNMRJWSSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S.C9H10ClN3.2CH4/c1-5(2)6-3-4-7-12-8(10)9(14(7)13-6)17(11,15)16;1-6(2)7-3-4-9-11-8(10)5-13(9)12-7;;/h3-5H,1-2H3,(H2,11,15,16);3-6H,1-2H3;2*1H4.
What are the key properties of 2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane?
2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane has a molecular weight of 502.47 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane is sourced from PubChem (CID 159691686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).