N-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide

C19H15F2N7O2S — CID 122510448

IUPACN-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C#N)n3n2)c1
InChIInChI=1S/C19H15F2N7O2S/c1-31(29,30)26-13-4-2-3-12(7-13)18-19(27(11-24-18)10-16(20)21)15-5-6-17-23-9-14(8-22)28(17)25-15/h2-7,9,11,16,26H,10H2,1H3
InChIKeyRFANOMXEBWHUHE-UHFFFAOYSA-N
MW443.44 g/mol
LogP2.77
Rot. Bonds6

About N-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide

N-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide (PubChem CID 122510448) has the molecular formula C19H15F2N7O2S and a molecular weight of 443.44 g/mol. Its IUPAC name is N-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide
PubChem CID122510448
Molecular FormulaC19H15F2N7O2S
Molecular Weight443.44 g/mol
Exact Mass443.10
IUPAC NameN-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C#N)n3n2)c1
InChIInChI=1S/C19H15F2N7O2S/c1-31(29,30)26-13-4-2-3-12(7-13)18-19(27(11-24-18)10-16(20)21)15-5-6-17-23-9-14(8-22)28(17)25-15/h2-7,9,11,16,26H,10H2,1H3
InChIKeyRFANOMXEBWHUHE-UHFFFAOYSA-N
XLogP2.77
TPSA117.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide (CID 122510448) is N-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C#N)n3n2)c1.
What is the InChIKey of N-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is RFANOMXEBWHUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N7O2S/c1-31(29,30)26-13-4-2-3-12(7-13)18-19(27(11-24-18)10-16(20)21)15-5-6-17-23-9-14(8-22)28(17)25-15/h2-7,9,11,16,26H,10H2,1H3.
What are the key properties of N-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide?
N-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 443.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-1-(2,2-difluoroethyl)imidazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 122510448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).