N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide

C23H21ClFN7O3S — CID 172895794

IUPACN-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)Nc4cn5nc(Cl)ccc5n4)nc3)cc2F)CC1
InChIInChI=1S/C23H21ClFN7O3S/c1-30-8-10-31(11-9-30)36(34,35)19-5-3-15(12-17(19)25)16-2-4-18(26-13-16)23(33)28-21-14-32-22(27-21)7-6-20(24)29-32/h2-7,12-14H,8-11H2,1H3,(H,28,33)
InChIKeyVBHRGZSQGXFWOI-UHFFFAOYSA-N
MW529.99 g/mol
LogP2.77
Rot. Bonds5

About N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide

N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide (PubChem CID 172895794) has the molecular formula C23H21ClFN7O3S and a molecular weight of 529.99 g/mol. Its IUPAC name is N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
PubChem CID172895794
Molecular FormulaC23H21ClFN7O3S
Molecular Weight529.99 g/mol
Exact Mass529.11
IUPAC NameN-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)Nc4cn5nc(Cl)ccc5n4)nc3)cc2F)CC1
InChIInChI=1S/C23H21ClFN7O3S/c1-30-8-10-31(11-9-30)36(34,35)19-5-3-15(12-17(19)25)16-2-4-18(26-13-16)23(33)28-21-14-32-22(27-21)7-6-20(24)29-32/h2-7,12-14H,8-11H2,1H3,(H,28,33)
InChIKeyVBHRGZSQGXFWOI-UHFFFAOYSA-N
XLogP2.77
TPSA112.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.99
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-(6-chloro-5-(4-fluorophenylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide
CID 44124863
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyridine-2-carboxamide
CID 59759556
N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
CID 59759608
N-[4-[2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
CID 59759685
N-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide
CID 67970808
3-chloro-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
CID 145506081
N-[4-[2-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)benzamide
CID 145506114
2-Fluoro-N-(6-(2-(4-fluorophenyl)-7-(methylsulfonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 90241303
5-chloro-3-fluoro-N-[6-[2-(methylamino)propanoylamino]-4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 117902613
4-chloro-2-fluoro-N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl) benzamide
CID 118538787
[3-[3-(4-Methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-piperazin-1-ylmethanone
CID 90670275
N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 90670286

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
The IUPAC name of N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide (CID 172895794) is N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
The canonical SMILES for N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide is CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)Nc4cn5nc(Cl)ccc5n4)nc3)cc2F)CC1.
What is the InChIKey of N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
The InChIKey is VBHRGZSQGXFWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN7O3S/c1-30-8-10-31(11-9-30)36(34,35)19-5-3-15(12-17(19)25)16-2-4-18(26-13-16)23(33)28-21-14-32-22(27-21)7-6-20(24)29-32/h2-7,12-14H,8-11H2,1H3,(H,28,33).
What are the key properties of N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide has a molecular weight of 529.99 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 172895794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).