5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide

C22H14F2N8O3S — CID 164593923

IUPAC5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)ncn3n2)c1F
InChIInChI=1S/C22H14F2N8O3S/c1-35-22-17(8-12(9-25)10-28-22)36(33,34)31-15-3-2-13(23)18(19(15)24)14-4-5-16-20(21-26-6-7-27-21)29-11-32(16)30-14/h2-8,10-11,31H,1H3,(H,26,27)
InChIKeyHRGVXZJXOUUKSA-UHFFFAOYSA-N
MW508.47 g/mol
LogP3.14
Rot. Bonds6

About 5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide

5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 164593923) has the molecular formula C22H14F2N8O3S and a molecular weight of 508.47 g/mol. Its IUPAC name is 5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide
PubChem CID164593923
Molecular FormulaC22H14F2N8O3S
Molecular Weight508.47 g/mol
Exact Mass508.09
IUPAC Name5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)ncn3n2)c1F
InChIInChI=1S/C22H14F2N8O3S/c1-35-22-17(8-12(9-25)10-28-22)36(33,34)31-15-3-2-13(23)18(19(15)24)14-4-5-16-20(21-26-6-7-27-21)29-11-32(16)30-14/h2-8,10-11,31H,1H3,(H,26,27)
InChIKeyHRGVXZJXOUUKSA-UHFFFAOYSA-N
XLogP3.14
TPSA150.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide (CID 164593923) is 5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)ncn3n2)c1F.
What is the InChIKey of 5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is HRGVXZJXOUUKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N8O3S/c1-35-22-17(8-12(9-25)10-28-22)36(33,34)31-15-3-2-13(23)18(19(15)24)14-4-5-16-20(21-26-6-7-27-21)29-11-32(16)30-14/h2-8,10-11,31H,1H3,(H,26,27).
What are the key properties of 5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 508.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 164593923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).